SCHEMBL4718876

SCHEMBL4718876

[CH2]C[C@@H](Cc1ccc(-c2c[nH]c(CCC=O)n2)cc1)NC(=O)c1ccc(OCCC)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.36
GCGR P47871 2/20 0.35
GIPR P48546 2/20 0.35
PPARG P37231 7/20 0.35
TAS1R3 Q7RTX0 4/20 0.34
TAS1R1 Q7RTX1 4/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KDM1A O60341 1/20 0.32
HDAC1 Q13547 1/20 0.32
POLB P06746 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
SCHEMBL4717681 0.91 CENPE (0.36) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL4718241 0.87 CENPE (0.39) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL4899980 0.81 CENPE (0.47) CENPETAS1R3TAS1R1
SCHEMBL4718281 0.81 CENPE (0.36) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3233585 0.79 CENPE (0.41) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL2617238 0.74 TAS1R3 (0.43) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL4722601 0.73 GCGR (0.43) GCGRGIPRPPARGTAS1R3TAS1R1
SCHEMBL13637058 0.72 TAS1R3 (0.43) CENPEPPARGTAS1R3TAS1R1POLB
SCHEMBL13584837 0.72 CENPE (0.47) CENPETAS1R3TAS1R1
SCHEMBL13584838 0.72 CENPE (0.47) CENPETAS1R3TAS1R1

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 4 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
EP-1951719-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-08-06 EP disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed