SCHEMBL141532

SCHEMBL141532

CC=Cc1cc(C(OCc2ccccc2)(C(F)(F)F)C(F)(F)F)ccc1N1CCN(C(=O)CN2CNC(C)(c3ccc4c(c3)OCC4)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.33
OPRM1 P35372 1/20 0.33
TRPV1 Q8NER1 1/20 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
SCHEMBL103778 0.87 HTT (0.44) OPRM1TRPV1
SCHEMBL3594760 0.87 HTT (0.44) OPRM1TRPV1
SCHEMBL146513 0.82 HTT (0.43)
SCHEMBL146514 0.82 HTT (0.43)
SCHEMBL106474 0.79 HTT (0.43)
SCHEMBL106476 0.79 HTT (0.43)
SCHEMBL106475 0.79 HTT (0.43)
SCHEMBL3599015 0.77 HTT (0.40)
SCHEMBL106171 0.77 HTT (0.40)
SCHEMBL13072519 0.77 HTT (0.42)

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-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed