SCHEMBL9568246

SCHEMBL9568246

COc1ccc(-c2ccc(C(=N)N)cc2)cc1C(=O)N[C@H]1CC[C@H](C(=O)OC2CCN(C)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
ST14 Q9Y5Y6 4/20 0.41
PRSS1 P07477 2/20 0.41
PRSS2 P07478 2/20 0.41
PRSS3 P35030 2/20 0.41
PLG P00747 1/20 0.41
BMPR1B O00238 2/20 0.41
BMPR1A P36894 2/20 0.41
ACVRL1 P37023 2/20 0.41
ACVR1 Q04771 2/20 0.41
CFTR P13569 1/20 0.40
KDM1A O60341 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
TGFBR1 P36897 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TLR7 Q9NYK1 1/20 0.39
TMPRSS2 O15393 1/20 0.39
HTR1D P28221 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
SCHEMBL9568245 1.00 F2 (0.41) F2ST14PRSS1PRSS2PRSS3
SCHEMBL9568084 0.90 F2 (0.46) F2ST14PRSS1PRSS2PRSS3
SCHEMBL9568086 0.90 F2 (0.46) F2ST14PRSS1PRSS2PRSS3
SCHEMBL9568128 0.90 SCN1A (0.38) BMPR1BBMPR1AACVRL1ACVR1CFTR
SCHEMBL9568132 0.90 SCN1A (0.38) BMPR1BBMPR1AACVRL1ACVR1CFTR
Hydrochloric Acid SCHEMBL9568183 0.90 F2 (0.46) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8410171 0.87 CFTR (0.48) F2ST14PRSS1PRSS2PRSS3
SCHEMBL9568078 0.87 SCN1A (0.46) F2ST14PRSS1PRSS2PRSS3
SCHEMBL9568080 0.87 SCN1A (0.46) F2ST14PRSS1PRSS2PRSS3
SCHEMBL8410563 0.83 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 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