SCHEMBL7076302

SCHEMBL7076302

c1ccc(C2C3CNCC3C2c2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.44
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
KDM1A O60341 2/20 0.42
MAOA P21397 1/20 0.42
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
SSTR4 P31391 1/20 0.39
MAOB P27338 1/20 0.39
BPTF Q12830 1/20 0.39
KCNH2 Q12809 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL744545 0.95 BPTF (0.43) CYP11B2SLC18A3SIGMAR1KDM1AMAOA
SCHEMBL6925312 0.95 BPTF (0.43) CYP11B2SLC18A3SIGMAR1KDM1AMAOA
SCHEMBL19122346 0.81 SLC18A3 (0.50) SLC18A3SIGMAR1KDM1AMAOAMAOB
SCHEMBL8660684 0.74 MAOA (0.55) SLC18A3SIGMAR1KDM1AMAOAMEN1
SCHEMBL3870077 0.74 MAOA (0.55) SLC18A3SIGMAR1KDM1AMAOAMEN1
SCHEMBL3870080 0.74 MAOA (0.55) SLC18A3SIGMAR1KDM1AMAOAMEN1
SCHEMBL233570 0.74 SLC18A3 (0.58) SLC18A3SIGMAR1KDM1AMAOAMEN1
SCHEMBL10153406 0.73 BPTF (0.42) SLC18A3SIGMAR1KDM1AMAOACHRNB4
Hydrochloric Acid SCHEMBL557175 0.72 SLC18A3 (0.56) SLC18A3SIGMAR1KDM1AMAOAKMT2A
SCHEMBL5699973 0.72 MAOA (0.49) KDM1AMAOAMEN1CYP3A4CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0740658-B1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS ABBOTT GMBH & CO KG (DE) 2003-07-02 EP disclosed
EP-0691962-B1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AG (DE) 2000-09-13 EP disclosed
EP-0647231-B1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AG (DE) 1997-08-27 EP disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
US-5616705-A N-substituted azabicycloheptane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
EP-0646113-B1 SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS BASF AG (DE) 1996-12-18 EP disclosed
EP-0740658-A1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1996-11-06 EP disclosed
EP-0646110-B1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS BASF AG (DE) 1996-10-23 EP disclosed
US-5521209-A N-substituted azabicyclo[3.2.0]heptane derivatives as neuroleptics, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
US-5475105-A N-substituted azabicycloheptane derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
US-5473080-A Substituted azabicycloheptane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1995-12-05 US disclosed
WO-1995015312-A1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed
EP-0647231-A1 N-SUBSTITUTED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AG (DE) 1995-04-12 EP disclosed
EP-0646110-A1 N-SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AG (DE) 1995-04-05 EP disclosed
EP-0646113-A1 SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS. BASF AG (DE) 1995-04-05 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
WO-1994000445-A1 SUBSTITUED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed
WO-1994000431-A1 N-SUBSTITUED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed
WO-1994000458-A1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed