SCHEMBL1727374

SCHEMBL1727374

O=c1n(-c2ccc(OCCN3C4CCC3CC4)cc2)ccn1-c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.46
MCHR1 Q99705 7/20 0.44
MCHR2 Q969V1 1/20 0.44
KCNH2 Q12809 4/20 0.42
HRH3 Q9Y5N1 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
PLA2G2A P14555 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL1729757 0.88 LTA4H (0.53) LTA4HMCHR1MCHR2KCNH2HRH3
SCHEMBL6081546 0.82 HRH3 (0.42) MCHR1KCNH2HRH3
SCHEMBL1728503 0.81 LTA4H (0.54) LTA4HMCHR1MCHR2KCNH2HRH3
SCHEMBL1728694 0.81 KDM4E (0.56) LTA4HMCHR1MCHR2KCNH2HRH3
SCHEMBL6081674 0.80 HTR1A (0.45) MEN1KMT2A
SCHEMBL1729474 0.80 HRH3 (0.57) KCNH2HRH3
SCHEMBL1727661 0.80 LTA4H (0.60) LTA4HMCHR1MCHR2KCNH2HRH3
SCHEMBL6081461 0.80 HRH3 (0.52) LTA4HMCHR1MCHR2KCNH2HRH3
SCHEMBL6081506 0.80 ALDH1A1 (0.46) LTA4HMCHR1MCHR2MEN1KMT2A
SCHEMBL1727501 0.79 LTA4H (0.45) LTA4HMCHR1MCHR2KCNH2HRH3

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