SCHEMBL6231304

SCHEMBL6231304

CN(C)CC1COc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 1.00

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
SCHEMBL6230262 1.00 MCHR1 (1.00) MCHR1
SCHEMBL6231437 1.00 MCHR1 (1.00) MCHR1
SCHEMBL5936060 0.86 MCHR1 (1.00) MCHR1
SCHEMBL5936071 0.86 MCHR1 (1.00) MCHR1
SCHEMBL6234133 0.85 MCHR1 (1.00) MCHR1
SCHEMBL5936044 0.85 MCHR1 (0.88) MCHR1
SCHEMBL6235037 0.82 MCHR1 (0.81) MCHR1
SCHEMBL12838148 0.81 MCHR1 (0.68) MCHR1
SCHEMBL12838149 0.81 MCHR1 (0.68) MCHR1
SCHEMBL5936179 0.76 MCHR1 (1.00) 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-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 — — WO disclosed
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