SCHEMBL4435752

SCHEMBL4435752

CNC(=O)[C@H](NCC[C@H](c1ccc(C(F)(F)F)cc1)c1cccc(OC)c1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.54
MTNR1B P49286 4/20 0.54
CASR P41180 3/20 0.49
KDM4E B2RXH2 2/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
KMT2A Q03164 6/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
ALPL P05186 1/20 0.44
ALOX12 P18054 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ROCK2 O75116 1/20 0.44
CCR2 P41597 2/20 0.43

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
SCHEMBL4433950 1.00 MTNR1A (0.54) MTNR1AMTNR1BCASRKDM4ECNR1
Hydrochloric Acid SCHEMBL4430466 0.99 MTNR1A (0.53) MTNR1AMTNR1BCASRKDM4ECNR1
Hydrochloric Acid SCHEMBL4433740 0.99 MTNR1A (0.53) MTNR1AMTNR1BCASRKDM4ECNR1
SCHEMBL4435363 0.92 CNR1 (0.54) CASRKDM4ECNR1CNR2KMT2A
SCHEMBL4434954 0.92 CNR1 (0.54) CASRKDM4ECNR1CNR2KMT2A
SCHEMBL4430527 0.91 KDM4E (0.45) MTNR1AMTNR1BCASRKDM4ECNR1
SCHEMBL4435507 0.91 KDM4E (0.45) MTNR1AMTNR1BCASRKDM4ECNR1
SCHEMBL4440265 0.91 KDM4E (0.45) MTNR1AMTNR1BCASRKDM4ECNR1
SCHEMBL4431243 0.91 KDM4E (0.45) MTNR1AMTNR1BCASRKDM4ECNR1
SCHEMBL4434661 0.91 KDM4E (0.45) MTNR1AMTNR1BCASRKDM4ECNR1

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