SCHEMBL3577052

SCHEMBL3577052

CNc1ccc(Cl)c(Cl)c1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.37
CNR1 P21554 2/20 0.35
RCE1 Q9Y256 1/20 0.35
GAA P10253 2/20 0.34
MLYCD O95822 2/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MCL1 Q07820 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
LPAR1 Q92633 2/20 0.33

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
SCHEMBL3583039 0.92 CNR1 (0.43) C5AR1CNR1RCE1MCL1UTS2R
SCHEMBL3578978 0.89 CNR1 (0.43) C5AR1CNR1RCE1CYP1A2CYP2D6
SCHEMBL27730382 0.89 C5AR1 (0.39) C5AR1CNR1RCE1GAAMLYCD
SCHEMBL3577159 0.84 C5AR1 (0.42) C5AR1GAAALDH1A1UTS2RLMNA
SCHEMBL3579938 0.83 MAPT (0.42) CNR1RCE1GAAL3MBTL1SMN1; SMN2
SCHEMBL3580876 0.83 LPAR1 (0.36) C5AR1CNR1RCE1GAAALDH1A1
SCHEMBL3589192 0.83 PPARA (0.39) C5AR1RCE1ALDH1A1SMN1; SMN2LPAR1
SCHEMBL3583296 0.81 LPAR1 (0.52) C5AR1RCE1LPAR1LPAR5
SCHEMBL27730385 0.80 LMNA (0.43) C5AR1CNR1GAAALDH1A1L3MBTL1
SCHEMBL3581360 0.79 MCL1 (0.40) CNR1GAAMCL1CYP1A2CYP2D6

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