SCHEMBL8904382

SCHEMBL8904382

CCOC(=O)CCC1CCC(NC(=O)c2occ3cc(C(=N)N)ccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 10/20 0.41
PRSS1 P07477 9/20 0.41
PRSS2 P07478 9/20 0.41
PRSS3 P35030 9/20 0.41
PLG P00747 3/20 0.41
ITGB3 P05106 3/20 0.39
ITGA2B P08514 3/20 0.39
F2 P00734 9/20 0.38
F10 P00742 3/20 0.37
F9 P00740 2/20 0.37
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8904747 0.92 ST14 (0.39) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8905129 0.90 ST14 (0.36) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8904820 0.90 ST14 (0.38) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8905684 0.89 F2 (0.37) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8904170 0.87 ITGB3 (0.40) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8904600 0.87 ITGB3 (0.49) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8904665 0.86 F2 (0.39) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8905976 0.86 ST14 (0.45) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8904376 0.84 TPSAB1 (0.48) ST14PRSS1PRSS2PRSS3PLG
SCHEMBL8714115 0.84 TPSAB1 (0.48) ST14PRSS1PRSS2PRSS3PLG

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 4 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 claimed
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 claimed
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