SCHEMBL13622867

SCHEMBL13622867

CN1CC(N2CCc3cc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)ccc32)C1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 15/20 0.53
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 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
SCHEMBL13622679 0.87 MCHR1 (0.49) MCHR1
SCHEMBL13622868 0.80 MCHR1 (0.50) MCHR1
SCHEMBL13622946 0.79 MCHR1 (0.55) MCHR1CYP3A4CYP2C19
SCHEMBL13622942 0.78 MCHR1 (0.46) MCHR1
SCHEMBL13622680 0.78 MCHR1 (0.48) MCHR1CYP3A4CYP2C19
SCHEMBL4457815 0.77 MCHR1 (0.50) MCHR1
SCHEMBL13622717 0.75 MCHR1 (0.50) MCHR1
SCHEMBL13622948 0.75 MCHR1 (0.49) MCHR1
SCHEMBL11423504 0.73 MCHR1 (0.75) MCHR1
SCHEMBL11423742 0.73 MCHR1 (0.79) 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