SCHEMBL4457815

SCHEMBL4457815

CN1CC(N2CCc3cc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)ccc32)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 11/20 0.50
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 1/20 0.35
SCD O00767 1/20 0.35

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
SCHEMBL4444619 0.89 MCHR1 (0.43) MCHR1HTR2CSCD
SCHEMBL13622939 0.88 MCHR1 (0.45) MCHR1
SCHEMBL13622679 0.86 MCHR1 (0.49) MCHR1SCD
SCHEMBL4456061 0.86 MCHR1 (0.42) MCHR1DRD2
SCHEMBL13622724 0.86 MCHR1 (0.46) MCHR1HTR2AHTR2C
SCHEMBL4444373 0.85 MCHR1 (0.41) MCHR1
SCHEMBL4443651 0.79 MCHR1 (0.46) MCHR1
SCHEMBL13622867 0.77 MCHR1 (0.53) MCHR1
SCHEMBL13622680 0.77 MCHR1 (0.48) MCHR1SCD
SCHEMBL13622942 0.77 MCHR1 (0.46) MCHR1SCD

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