SCHEMBL9568090

SCHEMBL9568090

C=CCOC(=O)NC(=N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)OC4CCCCC4)CC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.41
ITGA2B P08514 2/20 0.41
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
HTR2B P41595 3/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
FASN P49327 1/20 0.33
EPHX2 P34913 1/20 0.33
PTPN1 P18031 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL9568105 0.88 ITGB3 (0.43) ITGB3ITGA2BPOLBKMT2ALMNA
SCHEMBL9568118 0.86 POLB (0.45) ITGB3ITGA2BPOLBLMNA
SCHEMBL9568108 0.82 POLB (0.38) POLBLMNAHTR2BTGM2
SCHEMBL9568136 0.80 SCN1A (0.43) POLBHTR2BHRH3
SCHEMBL9568110 0.79 ITGB3 (0.52) ITGB3ITGA2BHTR2BF2PLG
SCHEMBL9422701 0.79 ITGB3 (0.52) ITGB3ITGA2BHTR2BF2PLG
SCHEMBL9568217 0.79 HRH3 (0.42) POLBHTR2BHRH3
Hydrochloric Acid SCHEMBL9568205 0.79 HTR2B (0.39) POLBLMNAHTR2BF2PRSS1
Hydrochloric Acid SCHEMBL9568100 0.79 ITGB3 (0.52) ITGB3ITGA2BHTR2BF2PLG
Hydrochloric Acid SCHEMBL9568112 0.79 ITGB3 (0.52) ITGB3ITGA2BHTR2BF2PLG

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