SCHEMBL326893

SCHEMBL326893

CN1CCN(Cc2ccc(OC3CN(C(=O)N4NC=C(c5ccccc5)O4)C3)cc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.63
ADRB2 P07550 1/20 0.40
KCNH2 Q12809 4/20 0.39
ALDH1A1 P00352 1/20 0.35
MTNR1B P49286 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL325939 0.80 MCHR1 (0.48) MCHR1KCNH2
SCHEMBL327335 0.80 MCHR1 (0.67) MCHR1ADRB2KCNH2ALDH1A1MTNR1B
SCHEMBL322333 0.77 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL10242878 0.74 MCHR1 (0.59) MCHR1ADRB2KCNH2ALDH1A1MTNR1B
SCHEMBL10190094 0.74 MCHR1 (0.59) MCHR1ADRB2KCNH2ALDH1A1MTNR1B
SCHEMBL10264311 0.71 MCHR1 (0.89) MCHR1KCNH2
SCHEMBL321217 0.70 ADRB2 (0.56) MCHR1ADRB2KCNH2ALDH1A1MTNR1B
SCHEMBL321388 0.70 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL322065 0.70 MCHR1 (0.52) MCHR1ADRB2ALDH1A1MTNR1BKDM4E
SCHEMBL322063 0.69 MCHR1 (0.86) 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