SCHEMBL3572810

SCHEMBL3572810

CCNc1ncc(F)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
SIGMAR1 Q99720 7/20 0.33
CENPE Q02224 5/20 0.33
OPRL1 P41146 1/20 0.33
ALDH1A1 P00352 2/20 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
TACR3 P29371 1/20 0.32
SSTR3 P32745 1/20 0.32
STAT3 P40763 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
SCHEMBL3583608 0.85 ESRRG (0.35) OPRM1OPRD1CENPEMAPT
SCHEMBL3576351 0.83 MCHR1 (0.35) OPRM1OPRD1SIGMAR1ALDH1A1MAPT
SCHEMBL3578672 0.82 GBA1 (0.34) OPRM1OPRD1SIGMAR1ALDH1A1MAPT
SCHEMBL3576804 0.82 SIGMAR1 (0.36) OPRM1OPRD1SIGMAR1ALDH1A1MAPT
SCHEMBL3577036 0.81 MCHR1 (0.43) OPRM1OPRD1SIGMAR1ALDH1A1MAPT
SCHEMBL3576767 0.81 SERPINE1 (0.38) OPRM1OPRD1SIGMAR1ALDH1A1MAPT
SCHEMBL3579734 0.79 SERPINE1 (0.40) OPRM1OPRD1SIGMAR1ALDH1A1MAPT
SCHEMBL3584245 0.78 SIGMAR1 (0.34) OPRM1OPRD1SIGMAR1ALDH1A1MAPT
SCHEMBL3576972 0.78 BTK (0.36) OPRM1OPRD1CENPEMAPT
SCHEMBL3586134 0.77 SLC2A1 (0.36) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19

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