SCHEMBL9568110

SCHEMBL9568110

N=C(N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)OC4CCCCCC4)CC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 7/20 0.52
ITGA2B P08514 7/20 0.52
PRSS1 P07477 10/20 0.52
F2 P00734 8/20 0.52
TPSAB1 Q15661 7/20 0.52
TPSD1 Q9BZJ3 7/20 0.52
TPSG1 Q9NRR2 7/20 0.52
PRSS2 P07478 7/20 0.52
PRSS3 P35030 7/20 0.52
PLG P00747 4/20 0.52
ST14 Q9Y5Y6 3/20 0.47
F10 P00742 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTR2B P41595 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
SCHEMBL9422701 1.00 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL9568112 0.99 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL9568150 0.99 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL9568100 0.99 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2TPSAB1
SCHEMBL9568120 0.99 PRSS1 (0.53) ITGB3ITGA2BPRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL9568180 0.98 PRSS1 (0.52) ITGB3ITGA2BPRSS1F2TPSAB1
SCHEMBL9568192 0.89 PRSS1 (0.45) ITGB3ITGA2BPRSS1F2TPSAB1
SCHEMBL9568115 0.89 SCN1A (0.46) ITGB3ITGA2BPRSS1F2TPSAB1
SCHEMBL9568098 0.89 PRSS1 (0.45) ITGB3ITGA2BPRSS1F2TPSAB1
Hydrochloric Acid SCHEMBL9568176 0.89 PRSS1 (0.47) ITGB3ITGA2BPRSS1F2TPSAB1

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-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP claimed
EP-0574808-A1 Amidine-biphenyl derivatives, process for their production & medical preparation containing them Dr. Karl Thomae GmbH (DE) 1993-12-22 EP disclosed