Sugi Predict

Sugi Predict / Compounds / SCHEMBL3346435

SCHEMBL3346435

SCHEMBL3346435

O=C(NCCCc1ccc(C(F)(F)F)nc1)[C@@H]1CNC[C@H]1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.58
▸ MC4R P32245 1/20 0.56
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KDM1A O60341 3/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.37
▸ AKT1 P31749 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
SCHEMBL3415193 0.80 KCNH2 (0.65) KCNH2MC4R
SCHEMBL3348194 0.79 KCNH2 (0.63) KCNH2MC4R
SCHEMBL3346236 0.77 MC4R (0.65) KCNH2MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL3346433 0.76 KCNH2 (0.56) KCNH2
SCHEMBL3345900 0.75 KCNH2 (0.58) KCNH2MC4R
SCHEMBL3350871 0.75 KCNH2 (0.57) KCNH2MC4R
SCHEMBL13365061 0.73 KCNH2 (0.79) KCNH2MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL3350446 0.73 KCNH2 (0.79) KCNH2MC4RCYP3A4CYP2D6CYP2C9
SCHEMBL22607767 0.73 MC4R (0.70) KCNH2MC4R
SCHEMBL22179105 0.73 MC4R (0.70) KCNH2MC4R

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