SCHEMBL3578672

SCHEMBL3578672

CNc1ncc(Br)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.34
SIGMAR1 Q99720 7/20 0.33
SSTR2 P30874 5/20 0.33
SSTR4 P31391 5/20 0.33
ALDH1A1 P00352 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP7 Q93009 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL3576351 0.92 MCHR1 (0.35) SIGMAR1ALDH1A1OPRM1OPRD1MAPT
SCHEMBL3576804 0.90 SIGMAR1 (0.36) SIGMAR1ALDH1A1OPRM1OPRD1MAPT
SCHEMBL3584126 0.84 ESRRG (0.36) GBA1SIGMAR1SSTR2SSTR4OPRM1
SCHEMBL3584245 0.83 SIGMAR1 (0.34) SIGMAR1ALDH1A1OPRM1OPRD1MAPT
SCHEMBL3584062 0.82 GBA1 (0.34) GBA1SIGMAR1SSTR2SSTR4OPRM1
SCHEMBL3577036 0.82 MCHR1 (0.43) SIGMAR1ALDH1A1OPRM1OPRD1MAPT
SCHEMBL3572810 0.82 OPRM1 (0.34) SIGMAR1ALDH1A1OPRM1OPRD1MAPT
SCHEMBL3583638 0.80 C5AR1 (0.41) OPRM1OPRD1MAPT
SCHEMBL3574398 0.79 STAT3 (0.37) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3575573 0.76 HSP90AA1 (0.36) GBA1SSTR2SSTR4OPRM1OPRD1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed