SCHEMBL326680

SCHEMBL326680

CCC1(O)CN(Cc2ccc(OC3CN(C(=O)N4NC=C(c5ccc(OC)cc5)O4)C3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.49
KCNH2 Q12809 17/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL326280 0.90 MCHR1 (0.41) MCHR1KCNH2HRH3
SCHEMBL327053 0.85 MCHR1 (0.47) MCHR1KCNH2HRH3
SCHEMBL321156 0.78 MCHR1 (0.78) MCHR1KCNH2HRH3
SCHEMBL10264484 0.73 MCHR1 (0.69) MCHR1KCNH2HRH3
SCHEMBL321034 0.71 MCHR1 (0.77) MCHR1KCNH2HRH3
SCHEMBL327020 0.69 MCHR1 (0.64) MCHR1KCNH2HRH3
SCHEMBL322336 0.69 MCHR1 (0.87) MCHR1KCNH2HRH3
SCHEMBL321798 0.68 MCHR1 (0.77) MCHR1KCNH2HRH3
SCHEMBL326246 0.66 MCHR1 (0.70) MCHR1KCNH2HRH3
SCHEMBL325939 0.66 MCHR1 (0.48) MCHR1KCNH2

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