SCHEMBL4749186

SCHEMBL4749186

COCCN1C[C@H](C(=O)c2cccc(O)c2)[C@H](c2cccc(F)c2C)[C@H](C(=O)N2CCC(O)C2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.40
RBP4 P02753 2/20 0.35
KDM2B Q8NHM5 5/20 0.34
NPC1 O15118 1/20 0.34
TNF P01375 1/20 0.34
RAB9A P51151 1/20 0.34
NOD1 Q9Y239 1/20 0.34
MGLL Q99685 6/20 0.34
EGFR P00533 2/20 0.33
ITK Q08881 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL4751345 1.00 MC4R (0.40) MC4RRBP4KDM2BNPC1TNF
SCHEMBL4749188 1.00 MC4R (0.40) MC4RRBP4KDM2BNPC1TNF
SCHEMBL4794920 0.92 MC4R (0.44) MC4RRBP4EGFRITKMEN1
SCHEMBL4026512 0.89 NPC1 (0.41) MC4RRBP4KDM2BNPC1TNF
SCHEMBL4751347 0.88 MC4R (0.44) MC4RRBP4MEN1KMT2A
SCHEMBL4779390 0.87 MC4R (0.43) MC4RRBP4KDM2B
SCHEMBL4027949 0.87 KDM2B (0.34) MC4RKDM2BMGLLKMT2A
SCHEMBL4779145 0.86 MC4R (0.40) MC4RRBP4KDM2BNPC1TNF
SCHEMBL4779138 0.86 MC4R (0.40) MC4RRBP4KDM2BNPC1TNF
SCHEMBL4749130 0.85 MC4R (0.44) MC4RRBP4KDM2BEGFRKMT2A

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