SCHEMBL6587407

SCHEMBL6587407

COc1ccc(CCNC(=O)Nc2cccc(-c3n[nH]cc3CBr)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.57
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 1/20 0.56
PKM P14618 1/20 0.56
HTT P42858 1/20 0.54
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
PTGDR Q13258 1/20 0.51
CNR1 P21554 2/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
LMNA P02545 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL6585363 0.90 NPC1 (0.59) KMT2AMEN1ALDH1A1HTTROCK2
SCHEMBL6587400 0.82 FPR2 (0.56) FPR2KMT2AMEN1ALDH1A1PKM
SCHEMBL6587276 0.82 ALDH1A1 (0.50) KMT2AMEN1ALDH1A1HTTNPC1
SCHEMBL6586593 0.81 SMN1; SMN2 (0.59) KMT2AMEN1ALDH1A1PKMROCK2
SCHEMBL6585825 0.79 BRAF (0.48) ALDH1A1HTTROCK2NPC1RAB9A
SCHEMBL6587095 0.79 ROCK2 (0.49) HTTROCK2ROCK1NPC1RAB9A
SCHEMBL2960343 0.79 FPR2 (0.56) FPR2KMT2AMEN1ALDH1A1PKM
SCHEMBL6591224 0.79 SMN1; SMN2 (0.55) KMT2AMEN1ALDH1A1ROCK2NPC1
SCHEMBL6587226 0.78 USP2 (0.56) KMT2AMEN1HTTROCK1MAPT
SCHEMBL6587936 0.77 RAB9A (0.48) KMT2AMEN1ALDH1A1PKMROCK2

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