SCHEMBL625379

SCHEMBL625379

OCC(c1ccccn1)C1(c2ccc(Cl)cc2)CCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.52
CCR1 P32246 1/20 0.42
TSHR P16473 3/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 2/20 0.40
TP53 P04637 1/20 0.40
SLC6A4 P31645 10/20 0.40
SLC6A3 Q01959 10/20 0.40
CHRM2 P08172 4/20 0.39
ADRA2B P18089 4/20 0.39
SLC6A2 P23975 4/20 0.39
KCNH2 Q12809 4/20 0.39
HTR2A P28223 3/20 0.39
ADRA2A P08913 2/20 0.39
OPRK1 P41145 2/20 0.39
HTR2B P41595 2/20 0.39
ADRA2C P18825 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL624609 0.89 TRPV3 (0.47) TRPV3TSHRSLC6A4SLC6A3CHRM2
SCHEMBL624589 0.87 TRPV3 (0.46) TRPV3KCNH2OPRK1ALDH1A1NR1I2
SCHEMBL626128 0.86 TRPV3 (0.52) TRPV3CCR1SLC6A4SLC6A3SLC6A2
SCHEMBL625341 0.86 TRPV3 (0.72) TRPV3SLC6A4SLC6A3SLC6A2KCNH2
SCHEMBL14894505 0.84 TRPV3 (0.44) TRPV3SLC6A4SLC6A3SLC6A2MAPT
SCHEMBL10562244 0.80 TRPV3 (0.52) TRPV3CCR1TSHRCYP3A4ALOX15
SCHEMBL625715 0.79 TRPV3 (0.46) TRPV3TSHRCYP3A4SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL10559936 0.78 TRPV3 (0.51) TRPV3CCR1TSHRCYP3A4ALOX15
SCHEMBL625378 0.74 TRPV3 (0.49) TRPV3CCR1TSHRSLC6A4SLC6A3
SCHEMBL625907 0.73 NR1I2 (0.46) TRPV3SLC6A2NR1I2

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-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