SCHEMBL9568086

SCHEMBL9568086

COc1ccc(-c2ccc(C(=N)N)cc2)cc1C(=O)N[C@H]1CC[C@H](C(=O)OC2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.46
ST14 Q9Y5Y6 4/20 0.46
PRSS1 P07477 3/20 0.46
PRSS2 P07478 3/20 0.46
PRSS3 P35030 3/20 0.46
PLG P00747 2/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
KDM1A O60341 1/20 0.46
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
RAB9A P51151 2/20 0.44
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
TLR8 Q9NR97 1/20 0.43
TLR7 Q9NYK1 1/20 0.43
MEN1 O00255 1/20 0.42
ALPL P05186 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
SCHEMBL9568084 1.00 F2 (0.46) F2ST14PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL9568183 0.99 F2 (0.46) F2ST14PRSS1PRSS2PRSS3
SCHEMBL9568246 0.90 F2 (0.41) F2ST14PRSS1PRSS2PRSS3
SCHEMBL9568245 0.90 F2 (0.41) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8410171 0.90 CFTR (0.48) F2ST14PRSS1PRSS2PRSS3
SCHEMBL9568234 0.89 ALDH1A1 (0.43) PDE4APDE4BPDE4CPDE4DKDM1A
SCHEMBL9568196 0.87 F2 (0.44) F2ST14PRSS1PRSS2PRSS3
SCHEMBL9568200 0.87 F2 (0.44) F2ST14PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL9568164 0.86 F2 (0.43) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8410563 0.86 KDM1A (0.48) F2ST14PRSS1PRSS2PRSS3

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