SCHEMBL8989754

SCHEMBL8989754

O=C(CCCN1CC2CC(c3ccccc3)C2C1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.48
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
HTR2A P28223 3/20 0.47
DRD3 P35462 2/20 0.47
KMT2A Q03164 2/20 0.47
HTR1A P08908 2/20 0.47
HRH1 P35367 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SLC6A4 P31645 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
DRD4 P21917 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
MEN1 O00255 1/20 0.46
HTR2C P28335 1/20 0.44
SLC18A3 Q16572 1/20 0.44

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
SCHEMBL7781796 0.92 DRD2 (0.55) DRD2HTR2ADRD3KMT2AHTR1A
SCHEMBL7781094 0.92 DRD2 (0.60) DRD2ADRA1AHTR2ADRD3KMT2A
SCHEMBL8989763 0.85 DRD3 (0.53) DRD2ADRA1AHTR2ADRD3KMT2A
SCHEMBL7774097 0.84 GRIN2B (0.60) ALDH1A1GRIN2B
SCHEMBL7781191 0.83 KDM4E (0.52) DRD2HTR2ADRD3HTR1AALDH1A1
SCHEMBL7779069 0.82 DRD2 (0.52) DRD2ADRA1AHTR2ADRD3KMT2A
SCHEMBL8989692 0.81 DRD2 (0.48) DRD2ADRA1AHTR2ADRD3KMT2A
SCHEMBL7781043 0.81 DRD2 (0.62) DRD2ADRA1DADRA1AADRA1BHTR2A
SCHEMBL7778722 0.80 KDM1A (0.50) GAASLC6A4SIGMAR1HTR2C
SCHEMBL8989759 0.80 DRD2 (0.53) DRD2ADRA1AHTR2ADRD3KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-0646110-A1 N-SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AG (DE) 1995-04-05 EP 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