SCHEMBL7275867

SCHEMBL7275867

N=C(N)c1ccc(-c2ccc(OC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3c3ccccc3C(N)=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
NR1D1 P20393 1/20 0.36
F2 P00734 4/20 0.34
PRSS1 P07477 3/20 0.34
PRSS2 P07478 3/20 0.34
PRSS3 P35030 3/20 0.34
TMPRSS6 Q8IU80 1/20 0.34
ST14 Q9Y5Y6 1/20 0.34
PPARD Q03181 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34
F10 P00742 2/20 0.34
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
WDR5 P61964 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
SCHEMBL7281034 0.95 ITGB3 (0.55) ITGB3ITGA2BNR1D1F2PRSS1
SCHEMBL7275607 0.91 ITGB3 (0.51) ITGB3ITGA2BNR1D1F2PRSS1
Hydrochloric Acid SCHEMBL7273888 0.90 ITGB3 (0.43) ITGB3ITGA2BNR1D1F2PRSS1
SCHEMBL8881791 0.89 ITGB3 (0.49) ITGB3ITGA2BNR1D1F2F10
SCHEMBL7275881 0.88 ITGB3 (0.59) ITGB3ITGA2BNR1D1F2PRSS1
Water SCHEMBL8882684 0.87 ITGB3 (0.58) ITGB3ITGA2BNR1D1F2PRSS1
SCHEMBL7272584 0.85 ITGB3 (0.58) ITGB3ITGA2BPRSS1PARP15PARP10
SCHEMBL7277206 0.84 ITGB3 (0.55) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL7276861 0.84 ITGB3 (0.55) ITGB3ITGA2BF2PRSS1PPARD
Hydrochloric Acid SCHEMBL7273623 0.84 ITGB3 (0.43) ITGB3ITGA2BNR1D1F2PRSS1

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
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed