SCHEMBL3350852

SCHEMBL3350852

COc1cccc(CCNC(=O)[C@@H]2CNC[C@H]2c2ccc(Cl)cn2)n1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 4/20 0.37
LIPG Q9Y5X9 1/20 0.36
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
ROCK2 O75116 2/20 0.34
GPR39 O43194 1/20 0.34
ACACB O00763 1/20 0.34
FPR3 P25089 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.33
NAMPT P43490 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
SCHEMBL3346548 0.88 GPBAR1 (0.39) MC4RROCK2FPR3TRPM5
SCHEMBL3346450 0.83 FPR3 (0.48) MC4RMAPTROCK2FPR3
SCHEMBL3346695 0.82 CNR1 (0.50) MC4RMAPTROCK2
SCHEMBL3350848 0.80 ROCK2 (0.41) MC4RROCK2TRPM5
SCHEMBL3349714 0.80 MC4R (0.57) MC4RMAPT
SCHEMBL3350808 0.79 TAAR1 (0.53) MC4RTP53
SCHEMBL3346268 0.78 KCNH2 (0.55) MC4RLIPGGPR39
SCHEMBL3346031 0.77 KCNH2 (0.53) MC4RTP53MAPTROCK2
SCHEMBL3350885 0.76 TAAR1 (0.47) MC4RMAPT
SCHEMBL21036525 0.74 PTK2 (0.36) TRPM5

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