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SCHEMBL3350690

SCHEMBL3350690

O=C(NCCc1ccc(Cl)o1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 8/20 0.55
▸ MC4R P32245 3/20 0.45
▸ AKT1 P31749 3/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ROCK2 O75116 2/20 0.37
▸ CNR1 P21554 1/20 0.34

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
SCHEMBL3350700 0.88 ROCK2 (0.42) KCNH2MC4RROCK2
SCHEMBL3346236 0.80 MC4R (0.65) KCNH2MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL3346356 0.79 KCNH2 (0.57) KCNH2MC4RROCK2CNR1
SCHEMBL3350686 0.78 KCNH2 (0.63) KCNH2MC4RAKT1CYP3A4CYP2D6
SCHEMBL13365061 0.73 KCNH2 (0.79) KCNH2MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL3350446 0.73 KCNH2 (0.79) KCNH2MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL3346496 0.73 KCNH2 (0.56) KCNH2MC4RCNR1
SCHEMBL22622441 0.72 MC4R (0.70) KCNH2MC4RCNR1
SCHEMBL22607767 0.72 MC4R (0.70) KCNH2MC4RCNR1
SCHEMBL22179105 0.72 MC4R (0.70) KCNH2MC4RCNR1

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
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 — — WO claimed