SCHEMBL9568113

SCHEMBL9568113

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.47
PRSS2 P07478 2/20 0.47
PRSS3 P35030 2/20 0.47
ST14 Q9Y5Y6 2/20 0.47
F2 P00734 1/20 0.47
ITGB3 P05106 18/20 0.46
ITGA2B P08514 18/20 0.46
F10 P00742 1/20 0.45

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 SCHEMBL9568117 0.99 PRSS1 (0.46) PRSS1PRSS2PRSS3ST14F2
Hydrochloric Acid SCHEMBL9568125 0.87 ITGB3 (0.48) PRSS1PRSS2PRSS3ST14F2
SCHEMBL8410357 0.86 ITGB3 (0.51) PRSS1PRSS2PRSS3ST14F2
SCHEMBL9186836 0.84 ITGB3 (0.51) PRSS1PRSS2PRSS3ST14F2
Hydrochloric Acid SCHEMBL9568221 0.83 PRSS1 (0.47) PRSS1PRSS2PRSS3ST14F2
SCHEMBL9568232 0.83 LMNA (0.38) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL8409916 0.83 ITGB3 (0.50) PRSS1PRSS2PRSS3ST14F2
Hydrochloric Acid SCHEMBL9568172 0.82 ITGB3 (0.48) PRSS1PRSS2PRSS3ST14F2
SCHEMBL9568124 0.82 ITGB3 (0.48) PRSS1PRSS2PRSS3ST14F2
SCHEMBL9568187 0.81 ITGB3 (0.47) PRSS1PRSS2PRSS3ST14F2

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