SCHEMBL6535864

SCHEMBL6535864

N=C(NC(=O)O)c1ccc(N2CC(CN3CCN(CC(=O)O)CC3)OC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.53
ITGA2B P08514 8/20 0.53
SIGMAR1 Q99720 11/20 0.43
PRSS1 P07477 7/20 0.42
PRSS2 P07478 7/20 0.42
PRSS3 P35030 7/20 0.42
F10 P00742 4/20 0.42
GRM2 Q14416 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL7316137 0.91 ITGB3 (0.55) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7313240 0.90 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL7304344 0.90 ITGB3 (0.48) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL8948808 0.86 ITGB3 (0.55) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL8948622 0.86 ITGB3 (0.55) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6156619 0.86 ITGB3 (0.55) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6602820 0.83 ITGB3 (0.59) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
Gantofiban SCHEMBL6600994 0.82 ITGB3 (0.70) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
SCHEMBL6600687 0.82 ITGB3 (0.68) ITGB3ITGA2BSIGMAR1PRSS1PRSS2
Gantofiban SCHEMBL6600995 0.82 ITGB3 (0.70) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1172671-C Pharmaceutical composition for oral administration ֮����ҩ��ʽ���� 2004-10-27 CN disclosed
EP-1188440-A4 MEDICINAL COMPOSITION FOR ORAL ADMINISTRATION YAMANOUCHI PHARMA CO LTD (JP) 2004-04-14 EP disclosed
CN-1353610-A Medicinal composition for oral administration YAMANOUCHI PHARMA CO LTD (JP) 2002-06-12 CN disclosed
WO-2000078318-A1 MEDICINAL COMPOSITION FOR ORAL ADMINISTRATION YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-12-28 WO disclosed