SCHEMBL6587933

SCHEMBL6587933

Cc1ccccc1CNC(=O)Nc1cccc(-c2n[nH]c(C)c2Br)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
P2RX7 Q99572 2/20 0.47
PDE5A O76074 2/20 0.46
PDE1A P54750 2/20 0.46
PDE1B Q01064 2/20 0.46
PDE3B Q13370 2/20 0.46
PDE1C Q14123 2/20 0.46
PDE3A Q14432 2/20 0.46
TTK P33981 2/20 0.44
NAMPT P43490 1/20 0.43
MAPK1 P28482 3/20 0.42
PKM P14618 2/20 0.42
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
AURKA O14965 1/20 0.42
PLA2G1B P04054 1/20 0.41

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
SCHEMBL6587091 0.88 KIT (0.50) RAB9ANPC1PDE5APDE1APDE1B
SCHEMBL6591221 0.83 SMN1; SMN2 (0.54) RAB9ANPC1PDE5APDE1APDE1B
SCHEMBL6587936 0.82 RAB9A (0.48) RAB9ANPC1PDE5APDE1APDE1B
SCHEMBL6585359 0.81 NPC1 (0.61) RAB9ANPC1NAMPTMAPK1ALDH1A1
SCHEMBL2956954 0.81 L3MBTL1 (0.57) RAB9ANPC1PDE5APDE1APDE1B
SCHEMBL6586589 0.80 SMN1; SMN2 (0.56) RAB9ANPC1MAPK1PKMALDH1A1
SCHEMBL6585821 0.80 BRAF (0.47) RAB9ANPC1PDE5APDE1APDE1B
SCHEMBL6586514 0.80 RAB9A (0.48) RAB9ANPC1P2RX7PDE5APDE1A
SCHEMBL6588756 0.78 SMN1; SMN2 (0.56) TTKALDH1A1MEN1KMT2AMAPT
SCHEMBL6590232 0.78 CNR1 (0.59) MAPT

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