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Sugi Predict / Compounds / SCHEMBL6602785

SCHEMBL6602785

SCHEMBL6602785

COC(=O)C(C)N1CCN(CC2CN(c3ccc(C(=N)NC(=O)C(c4ccccc4)c4ccccc4)cc3)C(=O)O2)CC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ SIGMAR1 Q99720 11/20 0.44
▸ HTR2B P41595 6/20 0.43
▸ GRM2 Q14416 2/20 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
SCHEMBL6600337 0.94 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL6605089 0.94 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL7634237 0.93 ITGB3 (0.43) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL7313128 0.93 HTR2B (0.45) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL6601245 0.93 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL6606273 0.93 ITGB3 (0.45) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL6600248 0.90 ITGB3 (0.49) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL6599464 0.89 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1GRM2
SCHEMBL6605469 0.89 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1HTR2BGRM2
SCHEMBL6601630 0.89 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1HTR2BGRM2

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-0741133-B1 Adhesion receptor antagonists MERCK PATENT GMBH (DE) 2004-01-28 — — EP disclosed
EP-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 — — EP disclosed