SCHEMBL6586514

SCHEMBL6586514

Cc1[nH]nc(-c2cccc(NC(=O)Cc3ccccc3F)c2)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TTK P33981 2/20 0.47
ANO1 Q5XXA6 3/20 0.45
P2RY14 Q15391 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 3/20 0.43
KDR P35968 1/20 0.43
MAPK1 P28482 2/20 0.42
P2RX7 Q99572 2/20 0.41
ELOVL1 Q9BW60 1/20 0.41
PDE5A O76074 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE1C Q14123 1/20 0.41
PDE3A Q14432 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 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
SCHEMBL6588756 0.86 SMN1; SMN2 (0.56) SMN1; SMN2TTKP2RY14ALDH1A1LMNA
SCHEMBL6587827 0.84 MAPT (0.49) RAB9ANPC1TTKANO1P2RY14
SCHEMBL2960652 0.80 L3MBTL1 (0.64) RAB9ANPC1SMN1; SMN2ANO1P2RY14
SCHEMBL6587933 0.80 RAB9A (0.48) RAB9ANPC1TTKALDH1A1MAPK1
SCHEMBL6586518 0.79 RAB9A (0.47) RAB9ANPC1SMN1; SMN2ANO1ALDH1A1
SCHEMBL6587221 0.78 P2RY14 (0.55) RAB9AP2RY14ALDH1A1LMNA
SCHEMBL6589440 0.78 NLRP3 (0.58) SMN1; SMN2P2RY14ALDH1A1LMNA
SCHEMBL6587743 0.77 GAA (0.57) SMN1; SMN2ALDH1A1LMNA
SCHEMBL6587091 0.77 KIT (0.50) RAB9ANPC1SMN1; SMN2KDRMAPK1
SCHEMBL6591221 0.77 SMN1; SMN2 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA

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