SCHEMBL4718281

SCHEMBL4718281

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CENPE Q02224 2/20 0.36
GCGR P47871 2/20 0.36
GIPR P48546 2/20 0.36
PPARG P37231 7/20 0.34
MMEL1 Q495T6 3/20 0.34
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
MME P08473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 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) CENPEGCGRGIPRPPARGMMEL1
SCHEMBL4718876 0.81 CENPE (0.36) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3228196 0.80 CENPE (0.42) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3224913 0.80 CENPE (0.42) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3228312 0.79 CENPE (0.42) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3231108 0.78 CENPE (0.41) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL3216796 0.77 CENPE (0.40) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL4718241 0.76 CENPE (0.39) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL2617238 0.73 TAS1R3 (0.43) CENPEGCGRGIPRPPARGTAS1R3
SCHEMBL13584837 0.71 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 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 disclosed
WO-2007056469-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed