SCHEMBL7946321

SCHEMBL7946321

CC(C)(C)OC(=O)N1CCN(CCN(CC2CCCCC2)C(=O)C(=O)C2CNc3ccccc32)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.37
CHRM3 P20309 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
ACKR3 P25106 2/20 0.35
CCR5 P51681 2/20 0.35
BCHE P06276 1/20 0.35
LIMK2 P53671 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
VCP P55072 2/20 0.34

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
SCHEMBL7947592 0.84 RAB9A (0.36) ACKR3BCHE
SCHEMBL7949581 0.79 CXCR4 (0.38) BCHE
SCHEMBL7945088 0.76 HDAC1 (0.38) BCHE
SCHEMBL3129331 0.76 MEN1 (0.42) CHRM3CHRM2CHRM4CHRM1
SCHEMBL7944087 0.75 BCHE (0.37) PKMBCHE
SCHEMBL7986076 0.74 HDAC1 (0.36) PKMBCHE
SCHEMBL7944573 0.73 TDP1 (0.37) BCHE
SCHEMBL7969135 0.72 BCHE (0.38) ACKR3BCHE
SCHEMBL7947140 0.68 PKM (0.37) PKMACKR3
SCHEMBL7710704 0.67 GPR119 (0.56) MAPK1KDM4EPKMGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010035032-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2010-04-01 WO disclosed
WO-2009133387-A1 INDOLE- 3 -GLYOXYLAMIDE DERIVATIVES FOR USE AS CALCIUM ION CHANNEL MODULATORS LECTUS THERAPEUTICS LIMITED (GB) 2009-11-05 WO disclosed