SCHEMBL1728665

SCHEMBL1728665

CN(C)CCOc1ccc(-n2ccn(-c3ccc(OCC4CCCCO4)cc3)c2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MCHR1 Q99705 1/20 0.43
LMNA P02545 2/20 0.43
ACACB O00763 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MIF P14174 1/20 0.39
TNK2 Q07912 2/20 0.39
LCK P06239 1/20 0.38

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
SCHEMBL1727580 0.97 LMNA (0.46) HPGDNPC1RAB9ASMN1; SMN2MCHR1
SCHEMBL1728662 0.85 MCHR1 (0.47) NPC1RAB9AMCHR1MEN1KMT2A
SCHEMBL1728609 0.84 MCHR1 (0.47) HPGDMCHR1MAPK14CYP1A2CYP2D6
SCHEMBL1729072 0.82 MCHR1 (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1727554 0.82 MCHR1 (0.49) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL13903304 0.81 MCHR1 (0.44) NPC1RAB9ASMN1; SMN2MCHR1LMNA
SCHEMBL1728688 0.80 LSS (0.48) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1729124 0.79 LSS (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1729760 0.79 LSS (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL13903321 0.77 MAPK14 (0.40) NPC1RAB9ASMN1; SMN2MCHR1LMNA

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-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed