SCHEMBL7474768

SCHEMBL7474768

O=C(NC[C@H](O)C(=O)O)c1ccc(N2CCC[C@H](NC3=NCCCN3)C2)cc1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.72
ITGAV P06756 17/20 0.72
ITGA2B P08514 12/20 0.72
ADRB1 P08588 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL6793124 0.90 ITGB3 (0.71) ITGB3ITGAVITGA2B
SCHEMBL7464521 0.88 ITGB3 (0.79) ITGB3ITGAVITGA2B
SCHEMBL27360378 0.86 ITGB3 (0.65) ITGB3ITGAVITGA2BADRB1HDAC1
SCHEMBL30856555 0.86 ITGB3 (0.65) ITGB3ITGAVITGA2BADRB1HDAC1
SCHEMBL7461038 0.84 ITGB3 (0.77) ITGB3ITGAVITGA2B
SCHEMBL7461023 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL7052834 0.84 ITGB3 (1.00) ITGB3ITGAVITGA2B
SCHEMBL6797319 0.83 ITGB3 (0.64) ITGB3ITGAVITGA2B
SCHEMBL7459047 0.83 ITGB3 (0.53) ITGB3ITGAVITGA2BHDAC1HDAC8
SCHEMBL7459959 0.82 ITGB3 (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP claimed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed