SCHEMBL6230623

SCHEMBL6230623

O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCOCC3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 1.00
▸ KCNH2 Q12809 1/20 0.81

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
SCHEMBL5936028 0.92 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL6237332 0.91 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL5936097 0.90 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL5936021 0.89 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL5936150 0.87 MCHR1 (0.81) MCHR1KCNH2
SCHEMBL5936091 0.86 MCHR1 (0.79) MCHR1KCNH2
SCHEMBL5766741 0.86 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL5936127 0.85 MCHR1 (1.00) MCHR1
SCHEMBL5936007 0.84 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL5936029 0.83 MCHR1 (0.85) 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 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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