SCHEMBL627739

SCHEMBL627739

Cc1ccc(C)c(C2(C(O)c3ccccn3)CCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.54
LMNA P02545 2/20 0.38
NR1I2 O75469 1/20 0.37
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL624839 0.87 TRPV3 (0.55) TRPV3NR1I2KDM4EKCNA5TP53
SCHEMBL624448 0.81 TRPV3 (0.66) TRPV3NR1I2KDM4EKCNA5TP53
SCHEMBL624783 0.81 TRPV3 (0.65) TRPV3LMNANR1I2KDM4EKCNA5
SCHEMBL624769 0.76 TRPV3 (0.55) TRPV3NR1I2NPSR1KDM4EKCNA5
SCHEMBL625185 0.75 TRPV3 (0.60) TRPV3NR1I2CHRM2CHRM4CHRM5
SCHEMBL625260 0.73 TRPV3 (0.52) TRPV3NR1I2PDK2KDM4EKCNA5
SCHEMBL625811 0.72 TRPV3 (0.65) TRPV3LMNANR1I2ALDH1A1CYP1A2
SCHEMBL624475 0.71 TRPV3 (0.53) TRPV3NR1I2MAPTNPSR1
SCHEMBL624476 0.71 TRPV3 (0.53) TRPV3NR1I2MAPTNPSR1
SCHEMBL14956815 0.70 TRPV3 (0.66) TRPV3NR1I2KDM4EKCNA5KCNE1

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