Sugi Predict

Sugi Predict / Compounds / SCHEMBL7441902

SCHEMBL7441902

SCHEMBL7441902

O=C(O)C[C@@H](NC(=O)c1ccc(C(=O)O)cc1)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCNCC2)C1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 0.68
▸ ITGA2B P08514 20/20 0.68
▸ F2R P25116 8/20 0.68

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
SCHEMBL6539330 1.00 ITGB3 (0.68) ITGB3ITGA2BF2R
SCHEMBL6538904 0.94 ITGB3 (0.67) ITGB3ITGA2BF2R
SCHEMBL7452090 0.94 ITGB3 (0.75) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7817868 0.93 ITGB3 (0.66) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7499239 0.93 ITGB3 (0.73) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7501839 0.93 ITGB3 (0.73) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7503786 0.92 ITGB3 (0.65) ITGB3ITGA2BF2R
SCHEMBL6538993 0.92 ITGB3 (0.63) ITGB3ITGA2BF2R
SCHEMBL6539455 0.92 ITGB3 (0.66) ITGB3ITGA2BF2R
Hydrochloric Acid SCHEMBL7494239 0.92 ITGB3 (0.69) ITGB3ITGA2BF2R

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-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 — — EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 — — WO disclosed