SCHEMBL6864170

SCHEMBL6864170

N[C@@H]1CCCC[C@H]1C(=O)N1CC(CC(=O)Nc2cc(C(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.39
RHOC P08134 1/20 0.37
RHOA P61586 1/20 0.37
TACR1 P25103 1/20 0.36
CACNA1G O43497 4/20 0.35
CACNA1H O95180 4/20 0.35
CACNA1B Q00975 1/20 0.35
LMNA P02545 2/20 0.34
ACP1 P24666 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CXCR3 P49682 1/20 0.33
USP30 Q70CQ3 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL12004818 0.91 NAMPT (0.44) NAMPTRHOCRHOATACR1CACNA1G
SCHEMBL6863401 0.91 NAMPT (0.44) NAMPTRHOCRHOATACR1CACNA1G
SCHEMBL12004817 0.91 NAMPT (0.44) NAMPTRHOCRHOATACR1CACNA1G
SCHEMBL6863467 0.84 RHOC (0.43) NAMPTRHOCRHOACACNA1GCACNA1H
SCHEMBL6864138 0.84 RHOC (0.43) NAMPTRHOCRHOACACNA1GCACNA1H
SCHEMBL6863915 0.84 RHOC (0.43) NAMPTRHOCRHOACACNA1GCACNA1H
SCHEMBL12005749 0.84 RHOC (0.43) NAMPTRHOCRHOACACNA1GCACNA1H
SCHEMBL12004714 0.82 EPHX2 (0.46) NAMPTRHOCRHOACACNA1GCACNA1H
SCHEMBL6863390 0.82 EPHX2 (0.46) NAMPTRHOCRHOACACNA1GCACNA1H
SCHEMBL6863159 0.82 EPHX2 (0.46) NAMPTRHOCRHOACACNA1GCACNA1H

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