SCHEMBL3576351

SCHEMBL3576351

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.35
SIGMAR1 Q99720 10/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
OPRK1 P41145 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
C5AR1 P21730 1/20 0.33
ENPP2 Q13822 1/20 0.32
SMYD2 Q9NRG4 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 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
SCHEMBL3576804 0.98 SIGMAR1 (0.36) MCHR1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3578672 0.92 GBA1 (0.34) SIGMAR1ALDH1A1MAPTSMN1; SMN2OPRK1
SCHEMBL3577036 0.91 MCHR1 (0.43) MCHR1SIGMAR1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3583638 0.88 C5AR1 (0.41) MCHR1MAPTOPRM1OPRD1C5AR1
SCHEMBL3574398 0.86 STAT3 (0.37) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3573512 0.85 HDAC1 (0.36) SIGMAR1CYP3A4TSHROPRM1OPRD1
SCHEMBL3584245 0.84 SIGMAR1 (0.34) SIGMAR1ALDH1A1MAPTSMN1; SMN2OPRK1
SCHEMBL3576692 0.84 ESRRG (0.37) SIGMAR1OPRM1OPRD1C5AR1
SCHEMBL3572810 0.83 OPRM1 (0.34) SIGMAR1ALDH1A1MAPTSMN1; SMN2OPRK1
SCHEMBL3573226 0.83 CNR1 (0.37) 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