SCHEMBL4752863

SCHEMBL4752863

COCCN1C[C@H](C(=O)N2CCCC[C@@H]2CO)[C@@H](c2cccc(F)c2C)[C@H](C(=O)N2CCCC[C@H]2CO)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
MC4R P32245 1/20 0.37
EPHX2 P34913 1/20 0.36
LMNA P02545 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
RBP4 P02753 2/20 0.34
NPC1 O15118 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PDE4B Q07343 1/20 0.33
HDAC4 P56524 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
SCHEMBL4752864 1.00 RAB9A (0.42) RAB9AMC4REPHX2LMNATRPV1
SCHEMBL4751265 1.00 RAB9A (0.42) RAB9AMC4REPHX2LMNATRPV1
SCHEMBL4752862 1.00 RAB9A (0.42) RAB9AMC4REPHX2LMNATRPV1
SCHEMBL4751420 0.89 RAB9A (0.35) RAB9AMC4REPHX2TRPV1RBP4
SCHEMBL4752007 0.84 MC4R (0.45) MC4RLMNARBP4
SCHEMBL4871415 0.80 MC4R (0.39) MC4RRBP4TDP1
SCHEMBL4749130 0.80 MC4R (0.44) MC4RRBP4
SCHEMBL4749302 0.80 MC4R (0.45) MC4RLMNARBP4
SCHEMBL4751640 0.79 MC4R (0.41) MC4RRBP4TDP1
SCHEMBL4776650 0.79 MC4R (0.44) MC4RLMNARBP4NPC1

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