SCHEMBL6863225

SCHEMBL6863225

Cc1cc(C)cc(NC(=O)NC2CCN(C(=O)[C@@H]3CCCCN3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TSHR P16473 2/20 0.44
USP2 O75604 1/20 0.44
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6863248 0.90 CXCR3 (0.51) EPHX2KMT2AMEN1
SCHEMBL12004739 0.84 CXCR3 (0.55) EPHX2
SCHEMBL6863633 0.84 CXCR3 (0.55) EPHX2
SCHEMBL6864238 0.84 CXCR3 (0.55) EPHX2
SCHEMBL6863253 0.80 CCR3 (0.38) NPC1RAB9AMAPTKMT2APOLB
SCHEMBL2753005 0.78 RAB9A (0.70) EPHX2NPC1RAB9ATSHREPHX1
SCHEMBL11431700 0.75 RAB9A (0.60) EPHX2NPC1RAB9ATSHREPHX1
SCHEMBL10327137 0.74 LMNA (0.59) POLB
SCHEMBL10326796 0.74 LMNA (0.59) POLB
SCHEMBL10106568 0.74 LMNA (0.59) POLB

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