SCHEMBL8988648

SCHEMBL8988648

N=C(N)c1ccc(N2CCC(c3ccc(CCC(=O)O)cc3)C2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.62
ITGA2B P08514 18/20 0.62
F2 P00734 1/20 0.45
PLG P00747 1/20 0.45
PRSS1 P07477 1/20 0.45
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
ALOX15 P16050 1/20 0.42

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
Hydrochloric Acid SCHEMBL8988671 0.99 ITGB3 (0.61) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL8988588 0.88 ITGB3 (0.49) ITGB3ITGA2BF2PLGPRSS1
Hydrochloric Acid SCHEMBL8988698 0.85 ITGB3 (0.42) ITGB3ITGA2BF2
Hydrochloric Acid SCHEMBL8988844 0.84 ITGB3 (0.47) ITGB3ITGA2BF2PLGPRSS1
SCHEMBL7274080 0.81 ITGB3 (0.74) ITGB3ITGA2BF2PRSS1
SCHEMBL7284477 0.79 ITGB3 (0.70) ITGB3ITGA2BF2PRSS1
SCHEMBL7283919 0.79 ITGB3 (0.63) ITGB3ITGA2BF2PRSS1
SCHEMBL7276270 0.79 ITGB3 (0.63) ITGB3ITGA2BF2PRSS1
SCHEMBL7274994 0.79 ITGB3 (0.74) ITGB3ITGA2BF2
SCHEMBL7275272 0.78 ITGB3 (0.72) ITGB3ITGA2BF2PLGPRSS1

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
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP claimed
US-5489693-A ANTICOAGULANTS DR. KARK THOMAE, GMBH (DE) 1996-02-06 US disclosed
EP-0567968-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed