SCHEMBL384016

SCHEMBL384016

[NH]C(=O)c1ccc(N2CCC(NC3=NCCCN3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.56
ITGAV P06756 12/20 0.56
ITGA2B P08514 11/20 0.56
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
SMYD3 Q9H7B4 1/20 0.36
USP2 O75604 1/20 0.36
MBTD1 Q05BQ5 1/20 0.35
TP53BP1 Q12888 1/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL384017 0.89 ITGB3 (0.56) ITGB3ITGAVITGA2BADRA2AADRA2B
SCHEMBL382288 0.81 ITGB3 (0.49) ITGB3ITGAVITGA2BADRA2AADRA2B
SCHEMBL382698 0.80 ITGB3 (0.53) ITGB3ITGAVITGA2B
SCHEMBL6793131 0.80 ITGB3 (0.59) ITGB3ITGAVITGA2B
SCHEMBL6793124 0.80 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL383018 0.79 ITGB3 (0.59) ITGB3ITGAVITGA2BSMYD3
SCHEMBL383017 0.79 ITGB3 (0.70) ITGB3ITGAVITGA2B
SCHEMBL31444440 0.79 ITGB3 (0.50) ITGB3ITGAVITGA2BL3MBTL3L3MBTL1
SCHEMBL382289 0.79 ITGB3 (0.49) ITGB3ITGAVITGA2BADRA2AADRA2B
SCHEMBL6797331 0.79 ITGB3 (0.58) ITGB3ITGAVITGA2B

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