SCHEMBL625715

SCHEMBL625715

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.46
TEAD4 Q15561 1/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SLC6A2 P23975 1/20 0.35
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
P2RX7 Q99572 1/20 0.34
KMT2A Q03164 1/20 0.34
CD74 P04233 1/20 0.34
MIF P14174 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ALDH1A1 P00352 4/20 0.33

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 0.86 TRPV3 (0.46) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL624609 0.86 TRPV3 (0.47) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL626128 0.85 TRPV3 (0.52) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL625908 0.84 TRPV3 (0.65) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL625907 0.82 NR1I2 (0.46) TRPV3SLC6A2HDAC3HDAC1HDAC2
SCHEMBL625341 0.81 TRPV3 (0.72) TRPV3SLC6A4SLC6A3SLC6A2CYP2D6
SCHEMBL625379 0.79 TRPV3 (0.52) TRPV3SLC6A4SLC6A3SLC6A2OPRK1
SCHEMBL14894505 0.78 TRPV3 (0.44) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL626252 0.78 TRPV3 (0.44) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL625714 0.76 SLC6A4 (0.43) TRPV3TEAD4SLC6A4SLC6A3SLC6A2

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-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-2013062964-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO 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