SCHEMBL3581049

SCHEMBL3581049

CNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
LSS P48449 1/20 0.39
SERPINE1 P05121 2/20 0.39
MBTPS1 Q14703 1/20 0.38
MAPT P10636 1/20 0.38
MCHR1 Q99705 1/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR5 Q9H1C0 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
CCR1 P32246 3/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CA12 O43570 1/20 0.35

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
SCHEMBL3583612 0.94 KDM4E (0.40) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3583688 0.90 C5AR1 (0.42) C5AR1LSSSERPINE1MBTPS1LPAR1
SCHEMBL3583345 0.89 C5AR1 (0.40) C5AR1ALDH1A1LSSSERPINE1MBTPS1
SCHEMBL3576623 0.87 LMNA (0.41) C5AR1CCR1MEN1HPGDKMT2A
SCHEMBL3583320 0.85 CNR1 (0.41) C5AR1LPAR1LPAR5KDM4C
SCHEMBL3583638 0.84 C5AR1 (0.41) C5AR1LSSMBTPS1MAPTMCHR1
SCHEMBL3584209 0.84 C5AR1 (0.45) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3576432 0.84 C5AR1 (0.43) C5AR1KDM4EALDH1A1GLAGAA
SCHEMBL3569717 0.83 LMNA (0.40) C5AR1CCR1MEN1HPGDKMT2A
SCHEMBL3584396 0.83 C5AR1 (0.44) C5AR1KDM4EALDH1A1GLAGAA

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 4 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
CN-101379036-B Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE 2011-06-01 CN disclosed
CN-101379036-A Anthranilamide/2-amino-heteroarene carboxamide derivatives HOFFMANN LA ROCHE (CH) 2009-03-04 CN disclosed