SCHEMBL3346544

SCHEMBL3346544

Cc1cccc([C@H](C)NC(=O)[C@@H]2CNC[C@H]2c2ccc(Cl)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.38
SSTR4 P31391 6/20 0.36
ROCK2 O75116 2/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK1 P28482 4/20 0.34
ACKR3 P25106 5/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL3350848 0.88 ROCK2 (0.41) TRPM5SSTR4ROCK2KCNH2MAPK1
SCHEMBL3346446 0.86 ROCK2 (0.42) TRPM5ROCK2KCNH2MAPK1
SCHEMBL3347822 0.86 KCNH2 (0.45) ROCK2KCNH2
SCHEMBL3353119 0.86 KCNH2 (0.47) SSTR4KCNH2ACKR3
SCHEMBL3349710 0.83 KCNQ3 (0.46) KCNH2
SCHEMBL3346658 0.83 KCNH2 (0.40) SSTR4ROCK2KCNH2MAPK1
SCHEMBL13365057 0.83 KCNH2 (0.38) TRPM5SSTR4ROCK2KCNH2MAPK1
SCHEMBL3350804 0.82 MAPK1 (0.41) ROCK2KCNH2MAPK1
SCHEMBL3380842 0.80 KCNH2 (0.40) ROCK2KCNH2MAPK1
SCHEMBL13365050 0.80 SSTR4 (0.39) SSTR4ROCK2KCNH2MAPK1

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