SCHEMBL4752905

SCHEMBL4752905

COCCN1C[C@H](C(=O)c2ccccc2)[C@H](c2cccc(F)c2C)[C@H](C(=O)N2CCNCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.43
REN P00797 13/20 0.37
RBP4 P02753 1/20 0.34
NTRK1 P04629 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL4751666 1.00 MC4R (0.43) MC4RRENRBP4NTRK1MEN1
SCHEMBL4776626 0.92 MC4R (0.44) MC4RRBP4NTRK1MEN1KMT2A
SCHEMBL4776650 0.92 MC4R (0.44) MC4RRBP4NTRK1MEN1KMT2A
SCHEMBL4751369 0.90 MC4R (0.42) MC4RRBP4NTRK1MEN1KMT2A
SCHEMBL4751347 0.90 MC4R (0.44) MC4RRBP4NTRK1MEN1KMT2A
SCHEMBL4774717 0.90 MC4R (0.43) MC4RNTRK1MEN1KMT2A
SCHEMBL4780053 0.89 MC4R (0.44) MC4RNTRK1MEN1KMT2A
SCHEMBL4752746 0.89 MC4R (0.44) MC4RRBP4NTRK1MEN1KMT2A
SCHEMBL4751319 0.88 MC4R (0.41) MC4RRBP4NTRK1KMT2A
SCHEMBL4794920 0.87 MC4R (0.44) MC4RRBP4NTRK1MEN1KMT2A

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