SCHEMBL7993168

SCHEMBL7993168

CCCCC[C@H](N)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.45
KIF11 P52732 2/20 0.40
OPRM1 P35372 1/20 0.39
CNR2 P34972 1/20 0.37
GRIK1 P39086 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
GRIK2 Q13002 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR2A P28223 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35

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
SCHEMBL29788858 0.94 KIF11 (0.41) CSNK1EKIF11CNR2KDM4ELMNA
Water SCHEMBL11570733 0.84 CSNK1E (0.44) CSNK1EKIF11OPRM1CNR2GRIK1
SCHEMBL8170752 0.82 SIGMAR1 (0.39) CSNK1EKIF11CNR2
Hydrochloric Acid SCHEMBL11616125 0.82 CSNK1E (0.43) CSNK1EKIF11OPRM1CNR2TAAR1
Hexapradol SCHEMBL1816624 0.82 KDM4E (0.53) CSNK1EKIF11OPRM1CNR2CES2
Water SCHEMBL11433620 0.82 CSNK1E (0.43) CSNK1EKIF11OPRM1CNR2GRIK1
Water SCHEMBL11260622 0.82 CSNK1E (0.46) CSNK1EKIF11OPRM1GRIK1GRIK2
SCHEMBL483815 0.82 CSNK1E (0.46) CSNK1EKIF11OPRM1GRIK1GRIK2
Water SCHEMBL11573895 0.82 CSNK1E (0.46) CSNK1EKIF11OPRM1GRIK1GRIK2
SCHEMBL10726204 0.82 CSNK1E (0.46) CSNK1EKIF11OPRM1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716604-A4 THIOL-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2000-12-27 EP disclosed
EP-0716604-A1 THIOL-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1996-06-19 EP disclosed
WO-1995006474-A1 THIOL-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1995-03-09 WO disclosed