SCHEMBL4434631

SCHEMBL4434631

CNC(=O)[C@@H](NCC[C@H](c1ccc(C(F)(F)F)nc1)c1ccc(F)c(C)c1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.38
TRPV1 Q8NER1 3/20 0.37
EP300 Q09472 1/20 0.35
TRPV3 Q8NET8 6/20 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
SCHEMBL4429672 1.00 P2RX7 (0.38) P2RX7TRPV1EP300TRPV3
SCHEMBL4435812 0.93 P2RX7 (0.38) P2RX7TRPV1EP300TRPV3
SCHEMBL4441783 0.93 P2RX7 (0.38) P2RX7TRPV1EP300TRPV3
SCHEMBL4436024 0.93 P2RX7 (0.44) P2RX7TRPV1EP300
SCHEMBL4440448 0.92 P2RX7 (0.37) P2RX7TRPV1EP300TRPV3
SCHEMBL4440242 0.92 P2RX7 (0.37) P2RX7TRPV1EP300TRPV3
SCHEMBL4441389 0.92 P2RX7 (0.37) P2RX7TRPV1EP300TRPV3
SCHEMBL4429561 0.92 P2RX7 (0.37) P2RX7TRPV1EP300TRPV3
SCHEMBL4433047 0.92 P2RX7 (0.37) P2RX7TRPV1EP300TRPV3
SCHEMBL4433732 0.91 P2RX7 (0.41) P2RX7TRPV1EP300TRPV3

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-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed