SCHEMBL7302880

SCHEMBL7302880

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)OC4CCCCCC4)C(=O)N3)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.72
ITGA2B P08514 1/20 0.72
PARP15 Q460N3 3/20 0.39
PARP10 Q53GL7 3/20 0.39
FURIN P09958 1/20 0.38
PRSS1 P07477 8/20 0.36
F2 P00734 4/20 0.36
ST14 Q9Y5Y6 3/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
LTA4H P09960 1/20 0.36
PARP2 Q9UGN5 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
TMPRSS2 O15393 1/20 0.35
PLG P00747 1/20 0.35
PLAU P00749 1/20 0.34
PRMT1 Q99873 1/20 0.34

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
SCHEMBL7313854 1.00 ITGB3 (0.72) ITGB3ITGA2BPARP15PARP10FURIN
Hydrochloric Acid SCHEMBL7302724 0.99 ITGB3 (0.71) ITGB3ITGA2BPARP15PARP10FURIN
SCHEMBL7306835 0.99 ITGB3 (0.74) ITGB3ITGA2BPARP15PARP10FURIN
Tetrahydrofuran SCHEMBL9095502 0.95 ITGB3 (0.66) ITGB3ITGA2BPARP15PARP10FURIN
Hydrochloric Acid SCHEMBL7311054 0.91 ITGB3 (0.65) ITGB3ITGA2BPARP15PARP10FURIN
Hydrochloric Acid SCHEMBL7283953 0.90 ITGB3 (0.59) ITGB3ITGA2BPARP15PARP10FURIN
Hydrochloric Acid SCHEMBL7277387 0.90 ITGB3 (0.59) ITGB3ITGA2BPARP15PARP10FURIN
SCHEMBL7431282 0.90 ITGB3 (0.69) ITGB3ITGA2BPARP15PARP10FURIN
Hydrochloric Acid SCHEMBL7310945 0.90 ITGB3 (0.69) ITGB3ITGA2BPARP15PARP10PRSS1
Hydrochloric Acid SCHEMBL7312699 0.90 ITGB3 (0.69) ITGB3ITGA2BPRSS1F2ST14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP claimed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US claimed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP claimed
EP-0567966-B1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof BOEHRINGER INGELHEIM PHARMA (DE) 1998-09-02 EP disclosed
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed