SCHEMBL382518

SCHEMBL382518

OCc1ccc(N2CCC(Nc3ncccn3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 12/20 0.53
▸ DRD3 P35462 12/20 0.53
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CHKA P35790 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ME3 Q16798 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ ACHE P22303 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
SCHEMBL383016 0.80 DRD2 (0.55) DRD2DRD3MAPK1KDM4EGAA
SCHEMBL383328 0.78 DRD2 (0.51) DRD2DRD3MAPK1KDM4EGAA
SCHEMBL383329 0.78 DRD2 (0.51) DRD2DRD3MAPK1
SCHEMBL383037 0.78 DRD2 (0.53) DRD2DRD3MAPK1KDM4EGAA
SCHEMBL382510 0.75 NOS2 (0.51) DRD2DRD3MAPK1KDM4E
SCHEMBL7655504 0.74 MAPT (0.62) KDM4EGAACHKA
SCHEMBL27474182 0.72 NAAA (0.50) DRD3MAPK1
SCHEMBL6796554 0.72 ITGB3 (0.49) DRD2DRD3EPHX2
SCHEMBL6796559 0.72 CASR (0.45) DRD2DRD3EPHX2ME3
SCHEMBL383181 0.72 CASR (0.54) DRD2DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 — — EP disclosed
US-6420558-B1 COMPOUNDS WITH AMIDINE GROUPS ANTAGONISTIC ACTIVITY, CELL ADHESION INHIBITORY ACTIVITY, HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY, AND THERAPEUTIC AGENTS MEIJI SEIKA KAISHA, LTD. (JP) 2002-07-16 — — US disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 — — EP disclosed
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