SCHEMBL4752746

SCHEMBL4752746

COCCN1C[C@H](C(=O)c2ccccc2)C(c2cccc(F)c2C)[C@H](C(=O)N2CCC(OC)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 3/20 0.44
LMNA P02545 1/20 0.37
KMT2A Q03164 2/20 0.36
RBP4 P02753 2/20 0.36
ALDH1A1 P00352 1/20 0.34
NTRK1 P04629 1/20 0.34
BCHE P06276 1/20 0.33
MEN1 O00255 1/20 0.33
PDE4B Q07343 2/20 0.33
GSK3B P49841 1/20 0.33
MC5R P33032 1/20 0.33
MC1R Q01726 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
SCHEMBL4749302 0.93 MC4R (0.45) MC4RLMNAKMT2ARBP4GSK3B
SCHEMBL4751347 0.92 MC4R (0.44) MC4RKMT2ARBP4ALDH1A1NTRK1
SCHEMBL4776626 0.91 MC4R (0.44) MC4RKMT2ARBP4ALDH1A1NTRK1
SCHEMBL4776650 0.91 MC4R (0.44) MC4RLMNAKMT2ARBP4ALDH1A1
SCHEMBL4751369 0.91 MC4R (0.42) MC4RKMT2ARBP4ALDH1A1NTRK1
SCHEMBL4751319 0.90 MC4R (0.41) MC4RKMT2ARBP4ALDH1A1NTRK1
SCHEMBL4794920 0.90 MC4R (0.44) MC4RKMT2ARBP4ALDH1A1NTRK1
SCHEMBL4752083 0.90 MC4R (0.41) MC4RKMT2ARBP4ALDH1A1NTRK1
SCHEMBL4752905 0.89 MC4R (0.43) MC4RKMT2ARBP4NTRK1MEN1
SCHEMBL4774717 0.89 MC4R (0.43) MC4RKMT2AALDH1A1NTRK1MEN1

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-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed