SCHEMBL626128

SCHEMBL626128

OCC(c1ccccn1)C1(c2cccc(Cl)c2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.52
SLC6A4 P31645 11/20 0.37
SLC6A3 Q01959 10/20 0.37
SLC6A2 P23975 11/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
CCR1 P32246 1/20 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
SCHEMBL625379 0.86 TRPV3 (0.52) TRPV3SLC6A4SLC6A3SLC6A2OPRK1
SCHEMBL624609 0.86 TRPV3 (0.47) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL625715 0.85 TRPV3 (0.46) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL625341 0.85 TRPV3 (0.72) TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL625907 0.80 NR1I2 (0.46) TRPV3SLC6A2
SCHEMBL624589 0.79 TRPV3 (0.46) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL626127 0.76 TRPV3 (0.46) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL14894505 0.76 TRPV3 (0.44) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL27925696 0.73 SLC6A4 (0.43) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL14893768 0.72 TRPV3 (0.54) TRPV3SLC6A4SLC6A3SLC6A2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP claimed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO claimed
EP-2771322-A2 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2014-09-03 EP disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
WO-2013062964-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed