SCHEMBL7280754

SCHEMBL7280754

CCCCS(=O)(=O)NC(Cc1ccccc1OCCCCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.48
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
ITGAV P06756 1/20 0.45
CHRM2 P08172 1/20 0.45
SLC6A4 P31645 1/20 0.45
YAP1 P46937 1/20 0.44
TGFBR1 P36897 1/20 0.42
HTR6 P50406 1/20 0.42
RBP4 P02753 1/20 0.41
SCN9A Q15858 1/20 0.40

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
SCHEMBL7282950 0.90 STS (0.52) GPR119ITGB3ITGA2BYAP1TGFBR1
SCHEMBL7280338 0.88 GPR119 (0.51) GPR119ITGB3ITGA2BYAP1TGFBR1
SCHEMBL7280760 0.86 ITGB3 (0.62) GPR119ITGB3ITGA2BITGAVCHRM2
SCHEMBL7279787 0.86 ITGB3 (0.47) GPR119ITGB3ITGA2BYAP1TGFBR1
SCHEMBL7442789 0.85 STS (0.51) GPR119ITGB3ITGA2BYAP1HTR6
SCHEMBL7280689 0.82 GPR119 (0.51) GPR119YAP1TGFBR1HTR6SCN9A
SCHEMBL7279447 0.79 ITGB3 (0.72) GPR119ITGB3ITGA2BITGAVCHRM2
SCHEMBL7282956 0.79 YAP1 (0.64) GPR119ITGB3ITGA2BITGAVCHRM2
Hydrochloric Acid SCHEMBL8862301 0.79 ITGB3 (0.71) GPR119ITGB3ITGA2BITGAVCHRM2
SCHEMBL7447590 0.78 ITGB3 (0.39) GPR119ITGB3ITGA2BITGAVCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6040317-A AN ANTIAGGLOMERANTS USEFUL IN THE PREVENTION AND TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION MERCK & CO., INC. (US) 2000-03-21 US disclosed
EP-0743302-B1 Sulfonamide fibrinogen receptor antagonists MERCK & CO INC (US) 1999-08-04 EP disclosed
US-5658929-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-08-19 US disclosed
EP-0478363-B1 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO INC (US) 1997-03-19 EP disclosed
EP-0743302-A2 Sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1996-11-20 EP disclosed
US-5292756-A Novel sulfonamide fibrinogen receptor antagonists MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1993019046-A1 NOVEL SULFONAMIDE FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-30 WO disclosed
EP-0478363-A2 Novel sulfonamide fibrinogen receptor antagonists MERCK & CO. INC. (US) 1992-04-01 EP disclosed