SCHEMBL327053

SCHEMBL327053

CCC1(CO)CCN(Cc2ccc(OC3CN(C(=O)N4NC=C(c5ccc(OC)cc5)O4)C3)cc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.47
KCNH2 Q12809 14/20 0.47
HRH3 Q9Y5N1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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 0.85 MCHR1 (0.49) MCHR1KCNH2HRH3
SCHEMBL327554 0.79 MCHR1 (0.77) MCHR1KCNH2HRH3
SCHEMBL326280 0.76 MCHR1 (0.41) MCHR1KCNH2HRH3
SCHEMBL321035 0.70 MCHR1 (0.79) MCHR1KCNH2HRH3
SCHEMBL322039 0.68 MCHR1 (0.78) MCHR1KCNH2HRH3
SCHEMBL19832548 0.68 SIGMAR1 (0.61) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL322018 0.68 MCHR1 (0.82) MCHR1KCNH2HRH3
SCHEMBL326893 0.67 MCHR1 (0.63) MCHR1KCNH2KDM4EALDH1A1MEN1
SCHEMBL325939 0.67 MCHR1 (0.48) MCHR1KCNH2
SCHEMBL16161559 0.65 ALDH1A1 (0.43) MCHR1KCNH2KDM4EALDH1A1LMNA

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