SCHEMBL13622680

SCHEMBL13622680

CCN1CC(N2CCc3cc(-n4ccc(-c5ccc(Cl)cn5)cc4=O)ccc32)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.48
SCD O00767 1/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 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
SCHEMBL13622679 0.90 MCHR1 (0.49) MCHR1SCD
SCHEMBL13622942 0.88 MCHR1 (0.46) MCHR1SCD
SCHEMBL13622717 0.85 MCHR1 (0.50) MCHR1SCD
SCHEMBL13622868 0.81 MCHR1 (0.50) MCHR1
SCHEMBL13622867 0.78 MCHR1 (0.53) MCHR1CYP3A4CYP2C19
SCHEMBL13622939 0.77 MCHR1 (0.45) MCHR1CYP3A4CYP2C19
SCHEMBL4457815 0.77 MCHR1 (0.50) MCHR1SCD
SCHEMBL4456061 0.76 MCHR1 (0.42) MCHR1CYP3A4CYP2C19
SCHEMBL4444619 0.76 MCHR1 (0.43) MCHR1SCD
SCHEMBL4448473 0.75 AVPR2 (0.36) MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137270-A2 AZETIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-11-12 WO disclosed