SCHEMBL4718241

SCHEMBL4718241

CCCOc1ccc(C(=O)N[C@@H](CCOC(=O)CN(C)C)Cc2ccc(-c3c[nH]c(CCC=O)n3)cc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 3/20 0.39
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
GCGR P47871 2/20 0.32
GIPR P48546 2/20 0.32
KIFC1 Q9BW19 1/20 0.32
PPARG P37231 6/20 0.32
UTS2R Q9UKP6 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
KDR P35968 2/20 0.31

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
SCHEMBL4718876 0.87 CENPE (0.36) CENPETAS1R3TAS1R1GCGRGIPR
SCHEMBL4717681 0.85 CENPE (0.36) CENPETAS1R3TAS1R1GCGRGIPR
SCHEMBL3229991 0.81 CENPE (0.45) CENPETAS1R3TAS1R1GCGRGIPR
SCHEMBL4899980 0.79 CENPE (0.47) CENPETAS1R3TAS1R1KIFC1
SCHEMBL4718281 0.76 CENPE (0.36) CENPETAS1R3TAS1R1GCGRGIPR
SCHEMBL3229985 0.72 CENPE (0.54) CENPETAS1R3TAS1R1KIFC1UTS2R
SCHEMBL3230000 0.72 CENPE (0.54) CENPETAS1R3TAS1R1KIFC1UTS2R
SCHEMBL13584837 0.70 CENPE (0.47) CENPETAS1R3TAS1R1KIFC1
SCHEMBL13584838 0.70 CENPE (0.47) CENPETAS1R3TAS1R1KIFC1
SCHEMBL2617238 0.70 TAS1R3 (0.43) CENPETAS1R3TAS1R1GCGRGIPR

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
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP claimed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed