SCHEMBL8905129

SCHEMBL8905129

N=C(N)c1ccc2c(C(=O)NC3CCC(CCC(=O)OCCO)CC3)occ2c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 15/20 0.36
F2 P00734 13/20 0.36
PRSS1 P07477 10/20 0.36
PRSS2 P07478 10/20 0.36
PRSS3 P35030 10/20 0.36
F10 P00742 1/20 0.36
PLG P00747 3/20 0.35
DRD2 P14416 4/20 0.34
HTR2A P28223 4/20 0.34
DRD3 P35462 4/20 0.34
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL8904382 0.90 ST14 (0.41) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8904747 0.89 ST14 (0.39) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8904820 0.87 ST14 (0.38) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8904170 0.86 ITGB3 (0.40) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8904684 0.86 ITGB3 (0.40) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8905684 0.86 F2 (0.37) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8904665 0.85 F2 (0.39) ST14F2PRSS1PRSS2PRSS3
SCHEMBL8905120 0.84 ITGB3 (0.47) F2DRD2HTR2A
SCHEMBL8715707 0.84 ITGB3 (0.47) F2DRD2HTR2A
SCHEMBL8905591 0.81 ITGB3 (0.43) ST14F2PRSS1PRSS2PRSS3

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