SCHEMBL4241013

SCHEMBL4241013

CN1CC(c2c[nH]c3cc(-n4ccc(-c5ccc(Cl)cc5)cc4=O)ccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.58
MCHR1 Q99705 11/20 0.51
IDO1 P14902 1/20 0.39

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
SCHEMBL13653414 0.86 KCNH2 (0.55) KCNH2MCHR1
SCHEMBL13653388 0.85 KCNH2 (0.58) KCNH2MCHR1
SCHEMBL4569934 0.84 KCNH2 (0.45) KCNH2MCHR1
SCHEMBL4565591 0.75 KCNH2 (0.41) KCNH2MCHR1IDO1
SCHEMBL4566462 0.74 KCNH2 (1.00) KCNH2MCHR1
SCHEMBL13653451 0.72 KCNH2 (0.72) KCNH2MCHR1
SCHEMBL15977222 0.71 MCHR1 (0.66) MCHR1
SCHEMBL26684007 0.70 HTR1F (0.56) KCNH2
SCHEMBL4237052 0.69 MCHR1 (0.38) KCNH2MCHR1
SCHEMBL4457815 0.68 MCHR1 (0.50) 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-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO disclosed