SCHEMBL383016

SCHEMBL383016

O=C(O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.55
▸ DRD3 P35462 7/20 0.55
▸ USP2 O75604 1/20 0.55
▸ CNR1 P21554 2/20 0.48
▸ CNR2 P34972 2/20 0.48
▸ CASR P41180 3/20 0.47
▸ HPGDS O60760 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPK1 P28482 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ HCAR3 P49019 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ METAP1 P53582 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
SCHEMBL383181 0.92 CASR (0.54) DRD2DRD3USP2CNR1CNR2
SCHEMBL382583 0.92 CASR (0.54) DRD2DRD3USP2CNR1CNR2
SCHEMBL383329 0.88 DRD2 (0.51) DRD2DRD3CNR1CNR2MAPK1
SCHEMBL383328 0.88 DRD2 (0.51) DRD2DRD3USP2KDM4EMAPK1
SCHEMBL6501602 0.86 KDM4E (0.56) DRD2DRD3CNR1CNR2KDM4E
SCHEMBL7463214 0.85 CASR (0.54) DRD2DRD3USP2CNR1CASR
SCHEMBL7053339 0.85 CASR (0.54) DRD2DRD3USP2CNR1CASR
SCHEMBL17832690 0.84 HDAC1 (0.54) DRD2DRD3USP2NPC1RAB9A
SCHEMBL7467132 0.84 CASR (0.51) DRD2DRD3USP2CASRKDM4E
SCHEMBL382510 0.82 NOS2 (0.51) DRD2DRD3KDM4EMAPK1METAP1

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 5 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-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 — — US 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-1209152-A1 OMEGA-AMINO-ALPHA-HYDROXYCARBOXYLIC ACID DERIVATIVES HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-05-29 — — EP 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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