SCHEMBL382698

SCHEMBL382698

CCOC(=O)c1ccc(N2CCC(NC3=NCCCCN3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.53
ITGAV P06756 10/20 0.53
ITGA2B P08514 10/20 0.53
PTGIR P43119 1/20 0.46
ALDH1A1 P00352 2/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL382838 0.93 PTGIR (0.53) ITGB3ITGAVITGA2BPTGIRALDH1A1
SCHEMBL384017 0.80 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL384016 0.80 ITGB3 (0.56) ITGB3ITGAVITGA2B
SCHEMBL382510 0.78 NOS2 (0.51) ALDH1A1HSP90AA1MAPTMEN1KMT2A
SCHEMBL6793124 0.76 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL6797761 0.76 ITGB3 (0.65) ITGB3ITGAVITGA2B
SCHEMBL383017 0.76 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL6793131 0.74 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL6797778 0.74 ITGB3 (0.55) ITGB3ITGAVITGA2B
Hydrochloric Acid SCHEMBL2514818 0.74 MEN1 (0.50) ALDH1A1HSP90AA1MEN1KMT2ANPC1

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