SCHEMBL7171966

SCHEMBL7171966

c1ccc(N2CCN(Cc3ccco3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.59
DRD4 P21917 2/20 0.59
ALDH1A1 P00352 4/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPT P10636 2/20 0.55
TSHR P16473 1/20 0.55
TRPV6 Q9H1D0 1/20 0.55
DRD3 P35462 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 4/20 0.52
CHRNA7 P36544 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL6695193 0.86 ALDH1A1 (0.53) GFERALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL23922857 0.82 ALDH1A1 (0.49) ALDH1A1HTTSMN1; SMN2MAPTTSHR
SCHEMBL6695190 0.80 ALDH1A1 (0.50) ALDH1A1HTTMAPTTSHRKDM4E
SCHEMBL1646672 0.80 POLB (0.57) L3MBTL1
SCHEMBL20241827 0.79 ALDH1A1 (0.47) GFERALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL17157069 0.79 SMN1; SMN2 (0.55) ALDH1A1HTTSMN1; SMN2TRPV6
SCHEMBL31670698 0.78 SIGMAR1 (0.55) ALDH1A1HTTSMN1; SMN2MAPTTRPV6
SCHEMBL8045561 0.78 SIGMAR1 (0.55) ALDH1A1HTTSMN1; SMN2MAPTTRPV6
SCHEMBL12536025 0.77 CYP2D6 (0.54) ALDH1A1HTTSMN1; SMN2MAPTTSHR
SCHEMBL7263869 0.77 ALDH1A1 (0.46) GFERALDH1A1HTTMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003101994-A1 FUSED BICYCLIC AROMATIC COMPOUNDS THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-11 WO disclosed