SCHEMBL4440448

SCHEMBL4440448

CNC(=O)[C@@H](NCC[C@@H](c1ccc(C(F)(F)F)nc1)c1ccc(F)c(C)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.37
EP300 Q09472 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CCR2 P41597 4/20 0.35
TACR1 P25103 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TRPV3 Q8NET8 2/20 0.34

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
SCHEMBL4441783 0.94 P2RX7 (0.38) P2RX7EP300TRPV1TRPV3
SCHEMBL4435812 0.94 P2RX7 (0.38) P2RX7EP300TRPV1TRPV3
SCHEMBL4436024 0.94 P2RX7 (0.44) P2RX7EP300KDM4ECCR2TRPV1
SCHEMBL4434631 0.92 P2RX7 (0.38) P2RX7EP300TRPV1TRPV3
SCHEMBL4429672 0.92 P2RX7 (0.38) P2RX7EP300TRPV1TRPV3
SCHEMBL4430543 0.91 EP300 (0.39) P2RX7EP300TRPV1TRPV3
SCHEMBL4440427 0.91 EP300 (0.39) P2RX7EP300TRPV1TRPV3
SCHEMBL4440242 0.91 P2RX7 (0.37) P2RX7EP300TRPV1TRPV3
SCHEMBL4429561 0.91 P2RX7 (0.37) P2RX7EP300TRPV1TRPV3
SCHEMBL4433047 0.91 P2RX7 (0.37) P2RX7EP300TRPV1TRPV3

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