SCHEMBL326280

SCHEMBL326280

CCC1(O)CN(Cc2ccc(OC3CN(C(=O)N4NC=C(c5ccc(OC)cc5)O4)C3)c(C)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.41
KCNH2 Q12809 15/20 0.41
HRH3 Q9Y5N1 1/20 0.41
UTS2R Q9UKP6 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
SCHEMBL326680 0.90 MCHR1 (0.49) MCHR1KCNH2HRH3
SCHEMBL327020 0.81 MCHR1 (0.64) MCHR1KCNH2HRH3
SCHEMBL325939 0.78 MCHR1 (0.48) MCHR1KCNH2UTS2R
SCHEMBL327053 0.76 MCHR1 (0.47) MCHR1KCNH2HRH3
SCHEMBL1394154 0.72 MCHR1 (0.69) MCHR1KCNH2HRH3
SCHEMBL321156 0.70 MCHR1 (0.78) MCHR1KCNH2HRH3
SCHEMBL326246 0.67 MCHR1 (0.70) MCHR1KCNH2HRH3
SCHEMBL326592 0.67 MCHR1 (0.76) MCHR1KCNH2HRH3
SCHEMBL325996 0.67 MCHR1 (0.71) MCHR1KCNH2HRH3
SCHEMBL10264484 0.66 MCHR1 (0.69) MCHR1KCNH2HRH3

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-2590969-A2 THERAPEUTIC AGENTS 976 AstraZeneca AB (SE) 2013-05-15 EP disclosed
WO-2012004588-A2 THERAPEUTIC AGENTS 976 ASTRAZENECA AB (SE) 2012-01-12 WO disclosed