SCHEMBL7305030

SCHEMBL7305030

CCOC(=O)CN1CCN(CC2CN(c3ccc(C(=N)NC(=O)c4ccsc4)cc3)C(=O)O2)CC1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
SIGMAR1 Q99720 2/20 0.41
PRSS1 P07477 6/20 0.40
PRSS2 P07478 6/20 0.40
PRSS3 P35030 6/20 0.40
F10 P00742 13/20 0.38
GRM2 Q14416 1/20 0.36
F2 P00734 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL7313241 0.93 ITGB3 (0.46) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602276 0.91 ITGB3 (0.60) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7310705 0.90 ITGB3 (0.53) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7313929 0.88 ITGB3 (0.58) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7306771 0.88 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7306919 0.88 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602517 0.87 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7308369 0.86 ITGB3 (0.50) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7314751 0.86 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7306241 0.86 ITGB3 (0.51) ITGB3ITGA2BSIGMAR1PRSS1PRSS2

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-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed