SCHEMBL11415973

SCHEMBL11415973

COc1ccc2c(c1)CCN(N)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 2/20 0.47
▸ DRD1 P21728 2/20 0.47
▸ DRD5 P21918 2/20 0.47
▸ DRD3 P35462 2/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ METAP1 P53582 1/20 0.46
▸ NOTUM Q6P988 1/20 0.46
▸ PARP1 P09874 1/20 0.45
▸ PRMT5 O14744 1/20 0.45
▸ WDR77 Q9BQA1 1/20 0.45
▸ MIF P14174 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ MPO P05164 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CA9 Q16790 1/20 0.44

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
SCHEMBL2204112 0.83 MEN1 (0.62) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL15889328 0.79 DRD1 (0.45) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL29438671 0.79 PRMT5 (0.51) DRD2DRD1DRD3PRMT5WDR77
SCHEMBL471627 0.79 PRMT5 (0.51) DRD2DRD1DRD3PRMT5WDR77
SCHEMBL13322633 0.79 GRM5 (0.51) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL13201488 0.78 PRMT5 (0.50) DRD2DRD1DRD3PRMT5WDR77
SCHEMBL20214501 0.77 MEN1 (0.51) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL4105407 0.77 NOTUM (0.58) DRD2DRD1DRD5DRD3HTR2C
SCHEMBL12870758 0.77 AOC3 (0.58) DRD2DRD1DRD5DRD3HTR2A
SCHEMBL13885025 0.76 PDE3B (0.52) DRD2DRD1DRD5DRD3NOTUM

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
US-RE30456-E ANTIFERTILITY AGENTS, ANTIINFLAMATORY AGENTS AND CENTRAL NERVOUS SYSTEM DEPRESSANTS GRUPPO LEPETIT S.P.A. (IT) 1980-12-23 — — US disclosed
US-4075341-A 2-Substituted phenyl-5-triazols [5,1-a] isoquinoline compounds GRUPPO LEPETIT S.P.A. (IT) 1978-02-21 — — US disclosed
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