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Sugi Predict / Compounds / SCHEMBL7818399

SCHEMBL7818399

SCHEMBL7818399

CC(C)(C)OC(=O)N1CCC(CCC(=O)N2CCC[C@@H](C(=O)N[C@H](CC(=O)O)NC(=O)c3ccccc3)C2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 19/20 0.55
▸ ITGA2B P08514 19/20 0.55
▸ F2R P25116 7/20 0.55
▸ KDM4E B2RXH2 1/20 0.52
▸ PKM P14618 1/20 0.52

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
SCHEMBL6538574 0.93 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL7498839 0.91 KDM4E (0.51) ITGB3ITGA2BF2RKDM4EPKM
SCHEMBL7440100 0.89 ITGB3 (0.57) ITGB3ITGA2BF2RKDM4EPKM
SCHEMBL7500568 0.88 ITGB3 (0.57) ITGB3ITGA2BF2R
SCHEMBL7503854 0.87 ITGB3 (0.53) ITGB3ITGA2BF2R
SCHEMBL6937902 0.87 ITGB3 (0.57) ITGB3ITGA2BF2R
SCHEMBL6938379 0.87 ITGB3 (0.57) ITGB3ITGA2BF2R
SCHEMBL6936431 0.87 ITGB3 (0.57) ITGB3ITGA2BF2R
SCHEMBL6939721 0.87 ITGB3 (0.57) ITGB3ITGA2BF2R
SCHEMBL7839625 0.87 ITGB3 (0.74) 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-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 — — EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 — — EP disclosed