SCHEMBL4018745

SCHEMBL4018745

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCCNC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.35
CX3CR1 P49238 1/20 0.35
MGLL Q99685 1/20 0.33
KDM2B Q8NHM5 7/20 0.32
KCNH2 Q12809 2/20 0.32
RPLP1 P05386 1/20 0.32
RPLP0 P05388 1/20 0.32
RPS17 P08708 1/20 0.32
RPSA P08865 1/20 0.32
RPS2 P15880 1/20 0.32
RPL35A P18077 1/20 0.32
RPL7 P18124 1/20 0.32
RPL17 P18621 1/20 0.32
RPS4Y1 P22090 1/20 0.32
RPS3 P23396 1/20 0.32
RPS12 P25398 1/20 0.32
RPL13 P26373 1/20 0.32
RPL10 P27635 1/20 0.32
RPL12 P30050 1/20 0.32
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 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
SCHEMBL4021116 0.94 SLC6A2 (0.35) CXCR2MGLLKDM2BSLC6A2SLC6A4
SCHEMBL4749242 0.90 OPRM1 (0.35) CXCR2MGLLOPRM1
SCHEMBL4749224 0.90 OPRM1 (0.35) CXCR2MGLLOPRM1
SCHEMBL4022812 0.89 HTR6 (0.35) CXCR2MGLLKDM2BKCNH2
SCHEMBL4024700 0.86 MGLL (0.35) CXCR2CX3CR1MGLLKCNH2RPLP1
SCHEMBL4018815 0.86 KDM2B (0.38) KDM2BKCNH2KAT5
SCHEMBL4024228 0.84 KAT7 (0.33) CXCR2CX3CR1MGLLKCNH2RPLP1
SCHEMBL4021646 0.84 MC4R (0.36) MGLLKDM2BKCNH2OPRM1MC4R
SCHEMBL4752869 0.83 MEN1 (0.40) MGLLOPRM1
SCHEMBL4751351 0.83 MEN1 (0.40) MGLLOPRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed