SCHEMBL4429663

SCHEMBL4429663

CNC(=O)[C@H](NCC[C@@H](c1ccc(C(F)(F)F)cc1)c1cc(C)ccc1F)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.43
TACR1 P25103 1/20 0.43
ALOX5 P09917 3/20 0.38
EPHX2 P34913 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ULK1 O75385 2/20 0.37
ALDH1A1 P00352 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
PDE2A O00408 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
SCHEMBL4441220 0.94 KDM4E (0.43) CCR2TACR1ALOX5EPHX2KDM4E
SCHEMBL4433024 0.94 KDM4E (0.43) CCR2TACR1ALOX5EPHX2KDM4E
SCHEMBL4434946 0.86 P2RX7 (0.41) CCR2TACR1EPHX2
SCHEMBL4440232 0.86 P2RX7 (0.41) CCR2TACR1EPHX2
SCHEMBL4438661 0.83 KDM4E (0.45) CCR2TACR1KDM4EALDH1A1CTDSP1
SCHEMBL4440273 0.83 KDM4E (0.45) CCR2TACR1KDM4EALDH1A1CTDSP1
SCHEMBL4427927 0.82 CNR1 (0.51) CCR2TACR1ALOX5EPHX2KDM4E
SCHEMBL4434552 0.82 CNR1 (0.51) CCR2TACR1ALOX5EPHX2KDM4E
SCHEMBL4428071 0.81 KDM4E (0.48) CCR2TACR1ALOX5EPHX2KDM4E
SCHEMBL4441795 0.81 KDM4E (0.46) CCR2TACR1ALOX5EPHX2KDM4E

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