SCHEMBL8905208

SCHEMBL8905208

CCOC(=O)CCN1CCC(OC(=O)c2occ3cc(C(=N)N)ccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
F10 P00742 7/20 0.37
F2 P00734 6/20 0.37
PRSS1 P07477 2/20 0.37
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8905976 0.85 ST14 (0.45) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8905088 0.83 HRH3 (0.37) CARM1PRMT6ALDH1A1LMNASMN1; SMN2
SCHEMBL8717837 0.82 TPSAB1 (0.53) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8904701 0.77 ITGB3 (0.41) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8904382 0.73 ST14 (0.41) ITGB3ITGA2BF10F2PRSS1
SCHEMBL8715598 0.73 TPSAB1 (0.51) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8904003 0.72 ITGB3 (0.48) ITGB3ITGA2BF10F2PRSS1
SCHEMBL8904600 0.72 ITGB3 (0.49) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8381272 0.68 ALDH1A1 (0.55) ITGB3ITGA2BF10F2ALDH1A1
SCHEMBL8717784 0.67 HRH3 (0.46) TPSAB1TPSD1TPSG1

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
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