SCHEMBL626252

SCHEMBL626252

O=CC(c1ccccn1)C1(c2cccc(F)c2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 1/20 0.44
OPRM1 P35372 3/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
OPRL1 P41146 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.34
NFE2L2 Q16236 1/20 0.34
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC6 Q9UBN7 3/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 3/20 0.33
HSD17B10 Q99714 3/20 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
SCHEMBL625892 0.85 TRPV3 (0.41) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL625303 0.82 NR1I2 (0.43) TRPV3OPRL1HDAC3HDAC1HDAC2
SCHEMBL625908 0.81 TRPV3 (0.65) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL625410 0.81 TRPV3 (0.68) TRPV3CYP2D6SLC6A4SLC6A3SLC6A2
SCHEMBL27925739 0.79 SLC6A4 (0.41) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL625715 0.78 TRPV3 (0.46) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL624615 0.71 TRPV3 (0.46) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL625714 0.71 SLC6A4 (0.43) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL626324 0.71 TRPV3 (0.52) TRPV3OPRM1OPRD1OPRK1OPRL1
SCHEMBL27925738 0.71 SLC6A4 (0.41) TRPV3OPRM1OPRD1OPRK1OPRL1

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