SCHEMBL6587936

SCHEMBL6587936

Cc1ccccc1CNC(=O)Nc1cccc(-c2n[nH]cc2CBr)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
PKM P14618 2/20 0.43
MAPK1 P28482 1/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
PLA2G1B P04054 1/20 0.41
MAPT P10636 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
P2RY14 Q15391 1/20 0.41
ROCK2 O75116 2/20 0.41
ROCK1 Q13464 1/20 0.41
TTK P33981 2/20 0.41
DGAT2 Q96PD7 1/20 0.41
PDE5A O76074 1/20 0.40
PDE1A P54750 1/20 0.40

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
SCHEMBL6587095 0.86 ROCK2 (0.49) RAB9ANPC1NAMPTMAPTROCK2
SCHEMBL6585363 0.82 NPC1 (0.59) RAB9ANPC1NAMPTALDH1A1MEN1
SCHEMBL6587933 0.82 RAB9A (0.48) RAB9ANPC1PKMMAPK1NAMPT
SCHEMBL6591224 0.82 SMN1; SMN2 (0.55) RAB9ANPC1MAPK1NAMPTALDH1A1
SCHEMBL6586593 0.81 SMN1; SMN2 (0.59) RAB9ANPC1PKMMAPK1ALDH1A1
SCHEMBL6585825 0.81 BRAF (0.48) RAB9ANPC1NAMPTALDH1A1MAPT
SCHEMBL6590860 0.79 RAF1 (0.48) RAB9ANPC1MAPTROCK1
SCHEMBL6587574 0.78 CNR1 (0.56) RAB9ANPC1PKMMAPK1MEN1
SCHEMBL6588758 0.78 SMN1; SMN2 (0.58) ALDH1A1MEN1KMT2AMAPTP2RY14
SCHEMBL6590235 0.78 CNR1 (0.57)

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