SCHEMBL6229659

SCHEMBL6229659

CN(C)Cc1ccc2cc(-n3cnc4cc(Cl)ccc4c3=O)ccc2n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 17/20 0.67
▸ KCNH2 Q12809 1/20 0.47
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5936175 0.92 MCHR1 (0.71) MCHR1KCNH2
SCHEMBL6230282 0.87 MCHR1 (0.53) MCHR1KCNH2RAB9ASMN1; SMN2
SCHEMBL5936051 0.84 MCHR1 (0.58) MCHR1KCNH2
SCHEMBL6235183 0.82 RAB9A (0.49) MCHR1KCNH2RAB9ASMN1; SMN2
SCHEMBL5766960 0.81 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL4538045 0.74 MCHR1 (0.58) MCHR1KCNH2
SCHEMBL5936106 0.72 MCHR1 (0.84) MCHR1KCNH2
SCHEMBL6268295 0.72 RAB9A (0.44) MCHR1KCNH2RAB9ASMN1; SMN2
SCHEMBL5936063 0.67 MCHR1 (0.61) MCHR1KCNH2
SCHEMBL5936034 0.66 MCHR1 (0.77) 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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