SCHEMBL3583688

SCHEMBL3583688

CCNc1ccc(Cl)cc1C(=O)N(CCc1ccc(Cl)cc1)Cc1ccc(C2CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 3/20 0.42
MBTPS1 Q14703 1/20 0.39
LSS P48449 1/20 0.38
SERPINE1 P05121 2/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
CCR1 P32246 4/20 0.36
LPAR1 Q92633 2/20 0.36
LPAR5 Q9H1C0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
F10 P00742 1/20 0.35
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
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 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
SCHEMBL3581049 0.90 C5AR1 (0.43) C5AR1MBTPS1LSSSERPINE1OPRM1
SCHEMBL3583345 0.90 C5AR1 (0.40) C5AR1MBTPS1LSSSERPINE1OPRM1
SCHEMBL3576767 0.89 SERPINE1 (0.38) C5AR1SERPINE1OPRM1OPRD1
SCHEMBL3579734 0.89 SERPINE1 (0.40) C5AR1SERPINE1OPRM1OPRD1MEN1
SCHEMBL3577493 0.87 LMNA (0.40) C5AR1CCR1MEN1HPGDKMT2A
SCHEMBL3570645 0.85 SERPINE1 (0.37) C5AR1SERPINE1CCR1MEN1HPGD
SCHEMBL3581310 0.85 SERPINE1 (0.35) C5AR1MBTPS1SERPINE1CCR1
SCHEMBL3575607 0.85 CNR1 (0.40) LPAR1LPAR5
SCHEMBL3583612 0.85 KDM4E (0.40) C5AR1SERPINE1OPRM1OPRD1CCR1
SCHEMBL3583457 0.84 LMNA (0.39) C5AR1SERPINE1CCR1MEN1HPGD

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