SCHEMBL6587574

SCHEMBL6587574

CC(C)(C)c1ccc(NC(=O)Nc2cccc(-c3n[nH]cc3CBr)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.56
MAPT P10636 4/20 0.53
NPC1 O15118 2/20 0.53
MAPK1 P28482 2/20 0.53
HTT P42858 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 1/20 0.53
STAT1 P42224 1/20 0.53
RAF1 P04049 6/20 0.46
XBP1 P17861 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NTRK1 P04629 1/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BRAF P15056 3/20 0.43
NR1H4 Q96RI1 2/20 0.42
EPHX2 P34913 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL6590235 0.87 CNR1 (0.57) CNR1RAF1
SCHEMBL6588837 0.86 NOX1 (0.51) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6585351 0.85 NTRK1 (0.38) CNR1MAPTNPC1MAPK1HTT
SCHEMBL1848290 0.82 RAF1 (0.53) CNR1MAPTNPC1MAPK1HTT
SCHEMBL6590860 0.82 RAF1 (0.48) CNR1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL6590589 0.78 ALDH1A1 (0.40) MAPTMAPK1HTTMEN1KMT2A
SCHEMBL6587567 0.78 CNR1 (0.56) CNR1MAPTNPC1MAPK1HTT
SCHEMBL6587095 0.78 ROCK2 (0.49) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL6585535 0.78 KDM4E (0.53) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6587936 0.78 RAB9A (0.48) MAPTNPC1MAPK1RAB9AMEN1

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 5 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-1244632-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS Arena Pharmaceuticals, Inc. (US) 2002-10-02 EP disclosed
WO-2001029008-A1 PYRAZOLE DERIVATIVES WHICH MODULATE HUMAN SEROTONIN RECEPTORS ARENA PHARMACEUTICALS, INC. (US) 2001-04-26 WO 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