SCHEMBL627085

SCHEMBL627085

OC(c1ncccn1)C1(c2cccc(OC(F)(F)CF)c2)CCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.38
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
NR1I2 O75469 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CETP P11597 13/20 0.32
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
PKLR P30613 1/20 0.31

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
SCHEMBL624777 0.89 NR1I2 (0.43) TRPV3GRIN1GRIN2AGRIN2BNR1I2
SCHEMBL627086 0.84 GRIN1 (0.49) TRPV3GRIN1GRIN2AGRIN2BNR1I2
SCHEMBL624452 0.76 NR1I2 (0.59) TRPV3NR1I2HDAC6HDAC3HDAC1
SCHEMBL624615 0.76 TRPV3 (0.46) TRPV3HDAC6HDAC3HDAC1HDAC2
SCHEMBL624825 0.75 NR1I2 (0.57) TRPV3NR1I2
SCHEMBL14893409 0.74 NR1I2 (0.39) TRPV3NR1I2HDAC6HDAC3HDAC1
SCHEMBL625376 0.71 TRPV3 (0.43) TRPV3NR1I2HDAC6HDAC3HDAC1
SCHEMBL624746 0.71 TRPV3 (0.49) TRPV3NR1I2HDAC6HDAC3HDAC1
SCHEMBL624514 0.71 TRPV3 (0.43) TRPV3NR1I2HDAC6HDAC3HDAC1
SCHEMBL624513 0.71 TRPV3 (0.43) TRPV3NR1I2HDAC6HDAC3HDAC1

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