SCHEMBL8988588

SCHEMBL8988588

COC(=O)CCc1ccc(C2CCN(c3ccc(C(=N)N)cc3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.49
ITGA2B P08514 8/20 0.49
F2 P00734 7/20 0.45
PRSS1 P07477 5/20 0.45
PLG P00747 2/20 0.45
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
HRH3 Q9Y5N1 1/20 0.40
F9 P00740 2/20 0.39
F10 P00742 3/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
HTR2C P28335 2/20 0.38

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
SCHEMBL8988648 0.88 ITGB3 (0.62) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL8988580 0.88 HRH3 (0.43) ITGB3ITGA2BHRH3HTR2C
Hydrochloric Acid SCHEMBL8988671 0.87 ITGB3 (0.61) ITGB3ITGA2BF2PRSS1PLG
Hydrochloric Acid SCHEMBL8988764 0.85 F2 (0.39) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL8988516 0.84 HRH3 (0.40) HRH3HTR2C
Hydrochloric Acid SCHEMBL7272547 0.82 ITGB3 (0.53) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL7283038 0.81 ITGB3 (0.47) ITGB3ITGA2BF2PRSS1PLG
SCHEMBL7274287 0.81 ITGB3 (0.47) ITGB3ITGA2BF2PRSS1PLG
Hydrochloric Acid SCHEMBL7282064 0.80 F10 (0.52) ITGB3ITGA2BF2PRSS1PLG
Hydrochloric Acid SCHEMBL7274330 0.80 ITGB3 (0.53) ITGB3ITGA2BF2PRSS1PLG

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-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