SCHEMBL6587400

SCHEMBL6587400

COc1ccc(CCNC(=O)Nc2cccc(-c3n[nH]c(C)c3Br)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.56
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.53
ROCK2 O75116 1/20 0.53
ROCK1 Q13464 1/20 0.53
PTGDR Q13258 1/20 0.51
CNR1 P21554 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.45
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE1C Q14123 1/20 0.45

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
SCHEMBL6585359 0.91 NPC1 (0.61) KMT2AALDH1A1MEN1HTTROCK2
SCHEMBL6587407 0.82 FPR2 (0.57) FPR2KMT2AALDH1A1MEN1PKM
SCHEMBL2960343 0.81 FPR2 (0.56) FPR2KMT2AALDH1A1MEN1PKM
SCHEMBL6586589 0.81 SMN1; SMN2 (0.56) KMT2AALDH1A1MEN1PKMHTT
SCHEMBL6587270 0.81 SMN1; SMN2 (0.50) KMT2AALDH1A1MEN1HTTNPC1
SCHEMBL6585821 0.80 BRAF (0.47) ALDH1A1ROCK2NPC1RAB9ALMNA
SCHEMBL6587091 0.79 KIT (0.50) KMT2AMEN1HTTROCK2ROCK1
SCHEMBL6591221 0.79 SMN1; SMN2 (0.54) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL6587221 0.78 P2RY14 (0.55) KMT2AALDH1A1MEN1HTTROCK1
SCHEMBL6586575 0.77 MAPT (0.35) KMT2AALDH1A1MEN1HTTPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1071701-A4 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARM INC (US) 2004-04-21 EP disclosed
EP-1071701-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF Arena Pharmaceuticals, Inc. (US) 2001-01-31 EP disclosed
WO-1999052927-A1 NON-ENDOGENOUS, CONSTITUTIVELY ACTIVATED HUMAN SEROTONIN RECEPTORS AND SMALL MOLECULE MODULATORS THEREOF ARENA PHARMACEUTICALS, INC. (US) 1999-10-21 WO disclosed