SCHEMBL7067249

SCHEMBL7067249

c1cn(-c2ccc(Cc3ccc4c(c3)OCO4)cc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 16/20 0.57
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
USP2 O75604 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
CLK4 Q9HAZ1 2/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NOS1 P29475 2/20 0.47

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
SCHEMBL27834828 0.84 MAOA (0.64) NOS2MAOAMAOBUSP2ALDH1A1
SCHEMBL21791731 0.81 LMNA (0.62) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL6942859 0.78 NOS2 (0.73) NOS2MAOAMAOB
SCHEMBL5202697 0.78 NOS2 (0.58) NOS2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5204903 0.78 NOS2 (0.58) NOS2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL108109 0.77 TAAR1 (0.62) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6946779 0.76 NOS2 (0.61) NOS2MAOAMAOB
SCHEMBL6944316 0.76 NOS2 (0.58) NOS2MAOAMAOBUSP2ALDH1A1
SCHEMBL109195 0.75 TAAR1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5553392 0.75 NOS2 (0.57) NOS2MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363628-A2 DRUGS FOR SEX DYSFUNCTIONS NICOX S.A. (FR) 2003-11-26 EP claimed
WO-2002011706-A2 DRUGS FOR SEX DYSFUNCTIONS NICOX S.A. (FR) 2002-02-14 WO claimed