SCHEMBL625341

SCHEMBL625341

OCC(c1ccccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.72
SLC6A4 P31645 15/20 0.42
SLC6A3 Q01959 15/20 0.42
SLC6A2 P23975 9/20 0.42
KCNH2 Q12809 4/20 0.40
CYP2D6 P10635 1/20 0.40
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR3 Q99500 1/20 0.37

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) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL626128 0.85 TRPV3 (0.52) TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL625562 0.84 TRPV3 (1.00) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL625563 0.84 TRPV3 (1.00) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL624609 0.83 TRPV3 (0.47) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL624589 0.81 TRPV3 (0.46) TRPV3KCNH2
SCHEMBL10561584 0.81 TRPV3 (0.73) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL625715 0.81 TRPV3 (0.46) TRPV3SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL624943 0.80 TRPV3 (0.93) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL14893522 0.78 TRPV3 (0.90) TRPV3SLC6A4SLC6A3SLC6A2KCNH2

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 5 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-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-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed