SCHEMBL1444731

SCHEMBL1444731

CC(C)(C)N1CC(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 2/20 0.49
ACP1 P24666 2/20 0.49
MAPT P10636 1/20 0.47
TACR1 P25103 1/20 0.45
THRB P10828 1/20 0.43
CXCR3 P49682 2/20 0.43
P2RX1 P51575 3/20 0.41
TMPRSS4 Q9NRS4 1/20 0.41
GPR35 Q9HC97 1/20 0.41
NAMPT P43490 1/20 0.41
RHOC P08134 1/20 0.40
RHOA P61586 1/20 0.40

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
SCHEMBL6863428 0.81 TACR1 (0.48) LMNAALDH1A1ACP1MAPTTACR1
SCHEMBL6864244 0.81 LMNA (0.45) LMNAALDH1A1ACP1MAPTTACR1
SCHEMBL6863055 0.80 CACNA1H (0.52) LMNAALDH1A1ACP1MAPTTACR1
SCHEMBL12496289 0.79 KDM4E (0.37) ALDH1A1MAPTGPR35
SCHEMBL1445331 0.77 LMNA (0.55) LMNAALDH1A1ACP1MAPTTACR1
SCHEMBL13568424 0.77 EPHX2 (0.59) LMNAALDH1A1ACP1TACR1NAMPT
SCHEMBL4278127 0.76 CXCR3 (0.56) LMNAALDH1A1ACP1MAPTTACR1
SCHEMBL6863505 0.76 LMNA (0.50) LMNAALDH1A1ACP1MAPTTACR1
SCHEMBL6871047 0.75 ACP1 (0.49) LMNAALDH1A1ACP1MAPTTACR1
SCHEMBL4277997 0.75 CXCR3 (0.55) LMNAALDH1A1ACP1MAPTTACR1

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