SCHEMBL8804699

SCHEMBL8804699

C=CCNCC=Cc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP2D6 P10635 2/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA7 P36544 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
CYP2C19 P33261 1/20 0.53
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
TBXAS1 P24557 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KDM4E B2RXH2 1/20 0.44
JUN P05412 1/20 0.44
MAPT P10636 1/20 0.44
NFKB1 P19838 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
SCHEMBL9128392 1.00 CHRNB2 (0.53) CHRNB2CHRNA4MEN1KMT2ACYP2D6
SCHEMBL11782007 0.81 CHRNB2 (0.60) CHRNB2CHRNA4MEN1KMT2ACYP2D6
SCHEMBL3884865 0.79 RAB9A (0.47) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL3884868 0.79 RAB9A (0.47) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL6961686 0.78 CHRNB2 (0.61) CHRNB2CHRNA4MEN1KMT2ACYP2D6
SCHEMBL6966000 0.78 CHRNB2 (0.61) CHRNB2CHRNA4MEN1KMT2ACYP2D6
SCHEMBL5622711 0.75 CYP11B2 (0.59) CHRNB2CHRNA4MEN1KMT2ACYP2D6
SCHEMBL5622714 0.75 CYP11B2 (0.59) CHRNB2CHRNA4MEN1KMT2ACYP2D6
SCHEMBL7099093 0.73 CYP11B2 (0.61) CHRNB2CHRNA4MEN1KMT2ACYP2D6
SCHEMBL7099087 0.73 CYP11B2 (0.61) CHRNB2CHRNA4MEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0646113-B1 SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS BASF AG (DE) 1996-12-18 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
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-0646113-A1 SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATES USEFUL AS INTERMEDIATE PRODUCTS. BASF AG (DE) 1995-04-05 EP 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-1994000458-A1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATES USEFUL AS NEUROLEPTIC AGENTS, ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed