SCHEMBL7318632

SCHEMBL7318632

CCCCS(=O)(=O)NCC(Cc1ccc(OCCCCC2CCN(C(=O)OC(C)(C)C)CC2)cc1)C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.56
ITGB3 P05106 6/20 0.53
ITGA2B P08514 6/20 0.53
ITGAV P06756 1/20 0.53
CHRM2 P08172 1/20 0.53
SLC6A4 P31645 1/20 0.53
YAP1 P46937 2/20 0.48

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
SCHEMBL7320543 0.90 GPR119 (0.59) GPR119ITGB3ITGA2BITGAVCHRM2
SCHEMBL7280760 0.89 ITGB3 (0.62) GPR119ITGB3ITGA2BITGAVCHRM2
SCHEMBL7279447 0.86 ITGB3 (0.72) GPR119ITGB3ITGA2BITGAVCHRM2
Hydrochloric Acid SCHEMBL8862301 0.85 ITGB3 (0.71) GPR119ITGB3ITGA2BITGAVCHRM2
SCHEMBL7313782 0.84 YAP1 (0.63) GPR119ITGB3ITGA2BITGAVYAP1
SCHEMBL7320864 0.84 GPR119 (0.60) GPR119YAP1
SCHEMBL7318599 0.83 GPR119 (0.54) GPR119ITGB3ITGA2BITGAVCHRM2
SCHEMBL7308698 0.83 GPR119 (0.63) GPR119ITGB3ITGA2BYAP1
SCHEMBL7315176 0.82 YAP1 (0.59) GPR119ITGB3ITGA2BITGAVYAP1
SCHEMBL7315022 0.82 GPR119 (0.64) GPR119YAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993016697-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1993-09-02 WO disclosed
US-5227490-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1993-07-13 US disclosed