SCHEMBL1445327

SCHEMBL1445327

O=C(CC1CCN(C(=O)O)CC1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
CXCR3 P49682 2/20 0.51
ACP1 P24666 1/20 0.48
EPHX2 P34913 5/20 0.47
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TACR1 P25103 1/20 0.47
RHOC P08134 2/20 0.46
RHOA P61586 2/20 0.46
GAA P10253 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
GPR35 Q9HC97 1/20 0.43
THRB P10828 1/20 0.43
P2RX1 P51575 1/20 0.43

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
SCHEMBL6863505 0.85 LMNA (0.50) LMNACXCR3ACP1EPHX2NAMPT
SCHEMBL4278127 0.85 CXCR3 (0.56) LMNACXCR3ACP1EPHX2NAMPT
SCHEMBL19112788 0.84 LMNA (0.49) LMNACXCR3ACP1EPHX2NAMPT
SCHEMBL4277997 0.84 CXCR3 (0.55) LMNACXCR3ACP1EPHX2NAMPT
SCHEMBL19113042 0.84 EPHX2 (0.54) LMNACXCR3ACP1EPHX2NAMPT
SCHEMBL4273193 0.83 CXCR3 (0.46) LMNACXCR3ACP1EPHX2NAMPT
SCHEMBL6863335 0.83 STS (0.56) CXCR3EPHX2TACR1
SCHEMBL4271452 0.83 CXCR3 (0.54) LMNACXCR3ACP1EPHX2NAMPT
SCHEMBL6862660 0.82 CXCR3 (0.48) LMNACXCR3ACP1EPHX2NAMPT
SCHEMBL12004810 0.82 CXCR3 (0.53) LMNACXCR3ACP1EPHX2NAMPT

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