SCHEMBL625892

SCHEMBL625892

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.41
SLC6A4 P31645 3/20 0.38
VNN1 O95497 2/20 0.37
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
KDM1A O60341 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 1/20 0.35
CCR2 P41597 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR7 Q9NYK1 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
SCHEMBL626252 0.85 TRPV3 (0.44) TRPV3SLC6A4SLC6A3SLC6A2OPRM1
SCHEMBL625303 0.84 NR1I2 (0.43) TRPV3SLC6A4SLC6A3SLC6A2OPRL1
SCHEMBL625314 0.82 TRPV3 (0.61) TRPV3SLC6A4VNN1MAPTPOLB
SCHEMBL625410 0.78 TRPV3 (0.68) TRPV3SLC6A4SLC6A3SLC6A2
SCHEMBL14893478 0.74 TRPV3 (0.53) TRPV3VNN1MAPTPOLBNPSR1
SCHEMBL14894541 0.74 TRPV3 (0.53) TRPV3VNN1MAPTPOLBNPSR1
SCHEMBL14893863 0.74 TRPV3 (0.53) TRPV3VNN1MAPTPOLBNPSR1
SCHEMBL627064 0.73 SLC6A4 (0.49) TRPV3SLC6A4MAPTPOLBNPSR1
SCHEMBL624676 0.72 TRPV3 (0.64) TRPV3MAPTPOLBNPSR1KDM4E
SCHEMBL14894318 0.72 NR1I2 (0.61) TRPV3SLC6A4MAPTPOLBNPSR1

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