SCHEMBL8717837

SCHEMBL8717837

CCOC(=O)CCN1CCC(OC(=O)c2cc3cc(C(=N)N)ccc3o2)CC1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 9/20 0.53
TPSD1 Q9BZJ3 9/20 0.53
TPSG1 Q9NRR2 9/20 0.53
F2 P00734 11/20 0.47
F10 P00742 4/20 0.44
ITGB3 P05106 1/20 0.41
ITGA2B P08514 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
SCHEMBL8715598 0.85 TPSAB1 (0.51) TPSAB1TPSD1TPSG1F2F10
SCHEMBL8717784 0.84 HRH3 (0.46) TPSAB1TPSD1TPSG1
SCHEMBL8905208 0.82 ITGB3 (0.38) TPSAB1TPSD1TPSG1F2F10
SCHEMBL8719769 0.77 TPSAB1 (0.55) TPSAB1TPSD1TPSG1F2F10
SCHEMBL8712780 0.76 F2 (0.58) TPSAB1TPSD1TPSG1F2F10
Hydrochloric Acid SCHEMBL8718278 0.76 TPSAB1 (0.54) TPSAB1TPSD1TPSG1F2F10
SCHEMBL8905696 0.75 TAS1R3 (0.44) TPSAB1TPSD1TPSG1F2
SCHEMBL8715740 0.75 F2 (0.53) TPSAB1TPSD1TPSG1F2F10
SCHEMBL8715772 0.73 ACHE (0.45)
SCHEMBL8904590 0.73 TPSAB1 (0.53) TPSAB1TPSD1TPSG1F2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753670-A ANTICOAGULANTS THE GREEN CROSS CORPORATION (JP) 1998-05-19 US disclosed
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed