SCHEMBL3348185

SCHEMBL3348185

CCc1ccc([C@@H]2CNC[C@H]2C(=O)N[C@@H](C)c2cccc(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ROCK2 O75116 8/20 0.50
PRKG1 Q13976 4/20 0.50
KCNH2 Q12809 2/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
ROCK1 Q13464 3/20 0.42
CASR P41180 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3346274 0.88 POLB (0.54) POLBROCK2PRKG1KCNH2MEN1
SCHEMBL3348200 0.87 KCNH2 (0.52) POLBROCK2PRKG1KCNH2MEN1
SCHEMBL3347178 0.86 KCNH2 (0.53) POLBROCK2PRKG1KCNH2MEN1
SCHEMBL3346490 0.86 KCNH2 (0.65) POLBROCK2PRKG1KCNH2MEN1
SCHEMBL13365070 0.86 KCNH2 (0.55) KCNH2MEN1KMT2ALMNACYP3A4
SCHEMBL3353232 0.85 POLB (0.53) POLBROCK2PRKG1KCNH2MEN1
SCHEMBL3347954 0.84 POLB (0.54) POLBROCK2PRKG1KCNH2MEN1
SCHEMBL3352431 0.82 ROCK2 (0.52) POLBROCK2PRKG1KCNH2MEN1
SCHEMBL13364987 0.82 ROCK2 (0.48) POLBROCK2PRKG1KCNH2ROCK1
SCHEMBL13365067 0.82 POLB (0.58) POLBROCK2PRKG1MEN1KMT2A

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 2 patents. 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
WO-2010059922-A1 PYRROLIDINE CARBOXAMIDE COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-05-27 WO disclosed