SCHEMBL7280835

SCHEMBL7280835

N=C(N)c1ccc(N2CCN(C3CCN(CCC(=O)O)CC3)C2=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.63
F2 P00734 8/20 0.57
PRSS1 P07477 6/20 0.56
HPN P05981 3/20 0.56
PRSS2 P07478 3/20 0.56
PRSS3 P35030 3/20 0.56
HGFAC Q04756 3/20 0.56
ST14 Q9Y5Y6 3/20 0.56
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
ALOX15 P16050 1/20 0.49

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 SCHEMBL7275689 0.87 F10 (0.56) F10F2PRSS1HPNPRSS2
SCHEMBL7392285 0.86 F10 (0.56) F10F2PRSS1HPNPRSS2
SCHEMBL7276749 0.86 F10 (0.56) F10F2PRSS1HPNPRSS2
SCHEMBL7393042 0.86 F10 (0.56) F10F2PRSS1HPNPRSS2
SCHEMBL7392641 0.81 F10 (0.56) F10F2PRSS1HPNPRSS2
SCHEMBL7392646 0.81 F10 (0.56) F10F2PRSS1HPNPRSS2
SCHEMBL7273060 0.80 ITGB3 (0.55) F10F2PRSS1HPNPRSS2
Hydrochloric Acid SCHEMBL8784144 0.78 ALOX15 (0.63) F10F2PRSS1HPNPRSS2
SCHEMBL7473162 0.77 F10 (0.43) F10F2PRSS1HPNPRSS2
SCHEMBL7281150 0.76 F10 (0.49) F10F2PRSS1HPNPRSS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed