SCHEMBL9568151

SCHEMBL9568151

CC(OC(=O)CC1CCN(C(=O)c2ccc(-c3ccc(C(=N)N)cc3)cc2)CC1)OC(=O)OC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.47
ITGA2B P08514 12/20 0.47
PRSS1 P07477 6/20 0.44
F2 P00734 5/20 0.44
PRSS2 P07478 4/20 0.44
PRSS3 P35030 4/20 0.44
TPSAB1 Q15661 4/20 0.44
TPSD1 Q9BZJ3 4/20 0.44
TPSG1 Q9NRR2 4/20 0.44
PLG P00747 2/20 0.44
HTR2B P41595 2/20 0.40
ST14 Q9Y5Y6 2/20 0.40
F10 P00742 1/20 0.39

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 0.87 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL9568110 0.87 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL9568111 0.86 ITGB3 (0.45) ITGB3ITGA2BPRSS1F2PRSS2
Hydrochloric Acid SCHEMBL9568112 0.86 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2PRSS2
Hydrochloric Acid SCHEMBL9568150 0.86 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2PRSS2
Hydrochloric Acid SCHEMBL9568100 0.86 ITGB3 (0.52) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL9568120 0.86 PRSS1 (0.53) ITGB3ITGA2BPRSS1F2PRSS2
Hydrochloric Acid SCHEMBL9568167 0.85 ITGB3 (0.44) ITGB3ITGA2BPRSS1F2PRSS2
Hydrochloric Acid SCHEMBL9568180 0.85 PRSS1 (0.52) ITGB3ITGA2BPRSS1F2PRSS2
SCHEMBL9568134 0.83 YAP1 (0.39) ITGB3ITGA2BHTR2B

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 1 patent. 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 disclosed