SCHEMBL624609

SCHEMBL624609

OCC(c1ccccn1)C1(c2ccccc2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.47
OPRL1 P41146 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KDM4E B2RXH2 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNA5 P22460 6/20 0.37
KCNE1 P15382 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KCNJ5 P48544 1/20 0.36
KCNJ3 P48549 1/20 0.36
SCN5A Q14524 1/20 0.36
KCND3 Q9UK17 1/20 0.36
HTT P42858 1/20 0.36
NR1I2 O75469 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP1A2 P05177 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
SCHEMBL624589 0.89 TRPV3 (0.46) TRPV3OPRL1OPRM1OPRD1OPRK1
SCHEMBL625379 0.89 TRPV3 (0.52) TRPV3OPRK1SLC6A2SLC6A4SLC6A3
SCHEMBL14894505 0.86 TRPV3 (0.44) TRPV3OPRL1OPRM1SLC6A2SLC6A4
SCHEMBL625715 0.86 TRPV3 (0.46) TRPV3OPRL1OPRM1OPRD1OPRK1
SCHEMBL626128 0.86 TRPV3 (0.52) TRPV3OPRL1OPRM1OPRD1OPRK1
SCHEMBL625341 0.83 TRPV3 (0.72) TRPV3SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL625907 0.80 NR1I2 (0.46) TRPV3SLC6A2NR1I2
SCHEMBL14956815 0.72 TRPV3 (0.66) TRPV3OPRL1OPRM1OPRD1OPRK1
SCHEMBL14894515 0.72 TRPV3 (0.62) TRPV3OPRL1OPRM1OPRD1OPRK1
SCHEMBL625811 0.72 TRPV3 (0.65) TRPV3OPRL1OPRM1OPRD1OPRK1

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
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO disclosed