SCHEMBL4776899

SCHEMBL4776899

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GCGR P47871 2/20 0.37
GIPR P48546 2/20 0.37
P2RX3 P56373 1/20 0.37
PTGES O14684 3/20 0.36
PPARG P37231 3/20 0.35
CD274 Q9NZQ7 6/20 0.34
TRPV3 Q8NET8 1/20 0.34
CSNK2A1 P68400 2/20 0.34
MME P08473 1/20 0.34
MMEL1 Q495T6 1/20 0.34
PPARA Q07869 1/20 0.34

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
SCHEMBL5569474 0.81 P2RX3 (0.39) MEN1KMT2AGCGRGIPRP2RX3
SCHEMBL4880126 0.74 FAAH (0.32) GCGRGIPRTRPV3CSNK2A1
SCHEMBL4839632 0.74 CSNK2A1 (0.32) TRPV3CSNK2A1
SCHEMBL4718281 0.70 CENPE (0.36) GCGRGIPRPPARGMMEMMEL1
SCHEMBL5569467 0.69 CENPE (0.39) MEN1KMT2AP2RX3PPARGPPARA
SCHEMBL4718876 0.69 CENPE (0.36) GCGRGIPRPPARG
SCHEMBL4717681 0.69 CENPE (0.36) GCGRGIPRPPARGMMEMMEL1
SCHEMBL5569135 0.69 MEN1 (0.36) MEN1KMT2AGCGRGIPRP2RX3
SCHEMBL2617238 0.68 TAS1R3 (0.43) GCGRGIPRPPARG
SCHEMBL4876587 0.68 S1PR1 (0.39) MEN1KMT2AP2RX3MMEMMEL1

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-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942732-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
WO-2007056143-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO disclosed