SCHEMBL8715598

SCHEMBL8715598

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 5/20 0.51
TPSD1 Q9BZJ3 5/20 0.51
TPSG1 Q9NRR2 5/20 0.51
ST14 Q9Y5Y6 4/20 0.47
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
PLG P00747 1/20 0.47
ITGB3 P05106 5/20 0.46
ITGA2B P08514 5/20 0.46
F2 P00734 9/20 0.46
F10 P00742 1/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL8905696 0.90 TAS1R3 (0.44) TPSAB1TPSD1TPSG1ST14PRSS1
SCHEMBL8712887 0.87 ITGB3 (0.58) TPSAB1TPSD1TPSG1ST14PRSS1
SCHEMBL8715772 0.87 ACHE (0.45) TAS1R3TAS1R1
SCHEMBL8714115 0.86 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ST14PRSS1
SCHEMBL8904376 0.86 TPSAB1 (0.48) TPSAB1TPSD1TPSG1ST14PRSS1
SCHEMBL8904034 0.85 DRD4 (0.42)
SCHEMBL8717837 0.85 TPSAB1 (0.53) TPSAB1TPSD1TPSG1ITGB3ITGA2B
SCHEMBL8905976 0.84 ST14 (0.45) TPSAB1TPSD1TPSG1ST14PRSS1
SCHEMBL8904590 0.83 TPSAB1 (0.53) TPSAB1TPSD1TPSG1ST14PRSS1
SCHEMBL8712942 0.83 TPSAB1 (0.53) TPSAB1TPSD1TPSG1ST14PRSS1

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