SCHEMBL28069940

SCHEMBL28069940

NCc1cc(F)cc(-c2cccc(C(=O)Nc3cc(CN)ccc3CC(=O)O)n2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 12/20 0.68
▸ F11 P03951 2/20 0.47
▸ SUCNR1 Q9BXA5 2/20 0.47
▸ TPSB2 P20231 1/20 0.47
▸ CTSA P10619 1/20 0.42
▸ MAP4K4 O95819 1/20 0.39
▸ TNIK Q9UKE5 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ PLAU P00749 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL16397683 0.94 CFD (0.61) CFDF11SUCNR1TPSB2CTSA
SCHEMBL16396871 0.92 CFD (0.62) CFDF11SUCNR1TPSB2CTSA
SCHEMBL16397161 0.91 CFD (0.78) CFDF11SUCNR1TPSB2CTSA
SCHEMBL16397262 0.89 CFD (0.59) CFDF11SUCNR1TPSB2CTSA
SCHEMBL16397441 0.87 CFD (0.61) CFDF11SUCNR1TPSB2CTSA
SCHEMBL16396602 0.87 CFD (0.63) CFDF11SUCNR1TPSB2CTSA
SCHEMBL16397300 0.84 CFD (0.59) CFDF11SUCNR1TPSB2CTSA
SCHEMBL16397190 0.83 CFD (0.58) CFDF11SUCNR1TPSB2CTSA
SCHEMBL16396922 0.81 CFD (1.00) CFDF11SUCNR1TPSB2CNR2
SCHEMBL16410469 0.75 SUCNR1 (0.66) CFDF11SUCNR1TPSB2ROCK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 — — CN disclosed
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