SCHEMBL6862576

SCHEMBL6862576

NC1(CC(=O)N2CCC(CCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
LMNA P02545 1/20 0.44
CXCR3 P49682 4/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.39
RHOC P08134 3/20 0.38
RHOA P61586 3/20 0.38
ACP1 P24666 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL6863510 0.92 EPHX2 (0.45) EPHX2LMNACXCR3GAARHOC
SCHEMBL6863997 0.86 EPHX2 (0.47) EPHX2CXCR3GAARHOCRHOA
SCHEMBL12014289 0.85 MGLL (0.46) EPHX2CXCR3GAARHOCRHOA
SCHEMBL6863250 0.84 EPHX2 (0.62) EPHX2CXCR3
SCHEMBL12005298 0.82 S1PR2 (0.44) EPHX2LMNAKMT2ATHRBACP1
SCHEMBL12015274 0.82 LMNA (0.40) EPHX2LMNAKMT2AACP1
SCHEMBL6862582 0.81 CXCR3 (0.47) EPHX2LMNACXCR3KMT2ATHRB
SCHEMBL26634671 0.79 LMNA (0.60) LMNAGAAKMT2ATHRBTP53
SCHEMBL4279051 0.78 CXCR3 (0.44) EPHX2LMNACXCR3GAARHOC
SCHEMBL4274878 0.77 CXCR3 (0.45) EPHX2LMNACXCR3GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 WO disclosed