SCHEMBL384017

SCHEMBL384017

NC(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.56
ITGAV P06756 10/20 0.56
ITGA2B P08514 10/20 0.56
HRH3 Q9Y5N1 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
ACVR1 Q04771 1/20 0.39
SYK P43405 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
SCHEMBL384016 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2BADRA2AADRA2B
SCHEMBL31444440 0.88 ITGB3 (0.50) ITGB3ITGAVITGA2BCNR1CNR2
SCHEMBL382289 0.81 ITGB3 (0.49) ITGB3ITGAVITGA2BADRA2AADRA2B
SCHEMBL383018 0.81 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL383017 0.81 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL382698 0.80 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL6793124 0.80 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL6793131 0.80 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL382288 0.79 ITGB3 (0.49) ITGB3ITGAVITGA2BADRA2AADRA2B
SCHEMBL6797319 0.79 ITGB3 (0.64) ITGB3ITGAVITGA2BCNR1CNR2

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 1 patent. 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