SCHEMBL7315937

SCHEMBL7315937

COC(=O)CN1CCN(CC2CN(CCN3CCN(C(=N)NC(=O)OC(C)(C)C)CC3)C(=O)O2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
CACNA1H O95180 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL7309062 0.95 ITGB3 (0.34) ITGB3ITGA2BCACNA1HSIGMAR1
SCHEMBL7305537 0.95 ITGB3 (0.34) ITGB3ITGA2BCACNA1HSIGMAR1
SCHEMBL7304829 0.93 SMN1; SMN2 (0.32) ITGB3ITGA2BSIGMAR1
SCHEMBL7303526 0.92 SIGMAR1 (0.33) ITGB3ITGA2BCACNA1HSIGMAR1
SCHEMBL7314629 0.91 SIGMAR1 (0.34) ITGB3ITGA2BSIGMAR1
SCHEMBL7316825 0.91 ITGB3 (0.34) ITGB3ITGA2B
SCHEMBL7306733 0.89 GPR119 (0.33) ITGB3ITGA2B
SCHEMBL7308728 0.89 SIGMAR1 (0.34) SIGMAR1
SCHEMBL7307904 0.88 GPR119 (0.34) ITGB3ITGA2B
SCHEMBL7315701 0.88 SIGMAR1 (0.34) ITGB3ITGA2BSIGMAR1

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-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed