SCHEMBL7387162

SCHEMBL7387162

N=C(N)c1ccc(N2CC(COc3cccc(C(=N)N)c3)OC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 17/20 0.59
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL7067394 0.93 GRM2 (0.57) GRM2ITGB3ITGA2BF2F10
SCHEMBL7389228 0.93 GRM2 (0.60) GRM2PRSS1
SCHEMBL7065870 0.90 GRM2 (0.60) GRM2ITGB3ITGA2BF2F10
SCHEMBL7065739 0.90 GRM2 (0.63) GRM2ITGB3ITGA2BF2F10
SCHEMBL7070016 0.90 GRM2 (0.51) GRM2ITGB3ITGA2BF10PRSS1
SCHEMBL7387746 0.89 GRM2 (0.59) GRM2F2F10PRSS1
SCHEMBL7068549 0.89 GRM2 (0.57) GRM2ITGB3ITGA2BF2F10
SCHEMBL7068840 0.89 F10 (0.51) GRM2ITGB3ITGA2BF10PRSS1
SCHEMBL7386950 0.89 GRM2 (0.63) GRM2ITGB3ITGA2BF10PRSS1
SCHEMBL7068020 0.88 GRM2 (0.75) GRM2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056743-A1 BENZAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-12-06 EP claimed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO claimed
EP-1056743-A1 BENZAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-12-06 EP disclosed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO disclosed