SCHEMBL4436355

SCHEMBL4436355

Cc1ccc([C@H](NCC[C@H](c2ccc(C(F)(F)F)cc2)c2cccc(OC(F)F)c2)C(N)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.41
MTNR1B P49286 4/20 0.41
ALOX5 P09917 4/20 0.40
EPHX2 P34913 4/20 0.40
CNR1 P21554 2/20 0.39
CNR2 P34972 1/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
LMNA P02545 5/20 0.37
NPC1 O15118 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
MTOR P42345 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 2/20 0.37
SLC6A2 P23975 2/20 0.37
HTR2C P28335 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37

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
SCHEMBL4433172 1.00 MTNR1A (0.41) MTNR1AMTNR1BALOX5EPHX2CNR1
SCHEMBL4440449 0.91 KDM4E (0.41) MTNR1AMTNR1BALOX5EPHX2CNR1
SCHEMBL4434948 0.91 KDM4E (0.41) MTNR1AMTNR1BALOX5EPHX2CNR1
SCHEMBL4438296 0.91 KDM4E (0.41) MTNR1AMTNR1BALOX5EPHX2CNR1
SCHEMBL4431325 0.86 KDM4E (0.45) MTNR1AMTNR1BALOX5EPHX2CNR1
SCHEMBL4431243 0.86 KDM4E (0.45) MTNR1AMTNR1BALOX5EPHX2CNR1
SCHEMBL4435507 0.86 KDM4E (0.45) MTNR1AMTNR1BALOX5EPHX2CNR1
SCHEMBL4432348 0.85 FFAR1 (0.40) ALOX5EPHX2CNR1MEN1KMT2A
SCHEMBL4432136 0.85 FFAR1 (0.40) ALOX5EPHX2CNR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4441407 0.84 FFAR1 (0.40) ALOX5EPHX2CNR1MEN1KMT2A

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