SCHEMBL3577940

SCHEMBL3577940

CC(C)Nc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)c(Cl)c1)Cc1ccc(C2CCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 2/20 0.38
SIGMAR1 Q99720 10/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
C5AR1 P21730 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL3576767 0.90 SERPINE1 (0.38) SERPINE1SIGMAR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3579734 0.88 SERPINE1 (0.40) SERPINE1SIGMAR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3586635 0.86 LMNA (0.39) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3583400 0.84 LMNA (0.39) SERPINE1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL3576622 0.82 LMNA (0.37) SIGMAR1ALDH1A1MAPTC5AR1OPRM1
SCHEMBL3584245 0.80 SIGMAR1 (0.34) SIGMAR1ALDH1A1SMN1; SMN2MAPTOPRK1
SCHEMBL3576351 0.80 MCHR1 (0.35) SIGMAR1ALDH1A1SMN1; SMN2MAPTOPRK1
SCHEMBL3581049 0.80 C5AR1 (0.43) SERPINE1ALDH1A1MAPTC5AR1OPRM1
SCHEMBL3576804 0.78 SIGMAR1 (0.36) SIGMAR1ALDH1A1SMN1; SMN2MAPTOPRK1
SCHEMBL3583688 0.78 C5AR1 (0.42) SERPINE1C5AR1OPRM1OPRD1

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