SCHEMBL382284

SCHEMBL382284

O=C(CCNCc1ccc(N2CCC(Nc3ncccn3)CC2)cc1)ONS(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.40
DRD3 P35462 6/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
GFER P55789 1/20 0.38
PIK3CA P42336 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
AKT1 P31749 1/20 0.36
MTOR P42345 1/20 0.36
SFRP1 Q8N474 1/20 0.36
EPHX2 P34913 1/20 0.36
ME3 Q16798 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL382763 0.86 ITGB3 (0.48) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL7654144 0.86 CA1 (0.43) ALDH1A1TSHRMAPK1GFERRAB9A
SCHEMBL382620 0.83 DRD2 (0.39) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL382702 0.82 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL382545 0.82 ITGB3 (0.46) ITGB3ITGAVITGA2B
SCHEMBL7469099 0.81 KAT6A (0.41) DRD2DRD3ALDH1A1ITGB3ITGAV
SCHEMBL7457979 0.81 SFRP1 (0.42) DRD2DRD3ALDH1A1MAPK1ITGB3
SCHEMBL381814 0.79 ITGB3 (0.55) DRD2DRD3ALDH1A1TSHRMAPK1
SCHEMBL7651464 0.79 HTR1A (0.41) DRD2DRD3ALDH1A1TSHRMAPK1
SCHEMBL7470713 0.79 KAT6A (0.39) ITGB3ITGAVITGA2BPIK3CAMEN1

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 8 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 claimed
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 claimed
CN-1303377-A Amino piperidine derivatives as integrin alpha beta 3 antagonists MEIJI SEIKA KAISHA (JP) 2001-07-11 CN claimed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP claimed
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
CN-1303377-A Amino piperidine derivatives as integrin alpha beta 3 antagonists MEIJI SEIKA KAISHA (JP) 2001-07-11 CN disclosed
EP-1074543-A1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2001-02-07 EP disclosed