SCHEMBL9568192

SCHEMBL9568192

N=C(N)c1ccc(-c2ccc(C(=O)N3CCC(CC(=O)OC4CCOCC4)CC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.45
PRSS2 P07478 4/20 0.45
PRSS3 P35030 4/20 0.45
F2 P00734 3/20 0.45
ST14 Q9Y5Y6 2/20 0.45
TPSAB1 Q15661 2/20 0.45
TPSD1 Q9BZJ3 2/20 0.45
TPSG1 Q9NRR2 2/20 0.45
PLG P00747 1/20 0.45
F10 P00742 1/20 0.43
ITGB3 P05106 8/20 0.42
ITGA2B P08514 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
HTR2B P41595 1/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL9568120 0.90 PRSS1 (0.53) PRSS1PRSS2PRSS3F2ST14
SCHEMBL9568110 0.89 ITGB3 (0.52) PRSS1PRSS2PRSS3F2ST14
SCHEMBL9422701 0.89 ITGB3 (0.52) PRSS1PRSS2PRSS3F2ST14
Hydrochloric Acid SCHEMBL9568180 0.89 PRSS1 (0.52) PRSS1PRSS2PRSS3F2ST14
Hydrochloric Acid SCHEMBL9568150 0.88 ITGB3 (0.52) PRSS1PRSS2PRSS3F2ST14
Hydrochloric Acid SCHEMBL9568112 0.88 ITGB3 (0.52) PRSS1PRSS2PRSS3F2ST14
Hydrochloric Acid SCHEMBL9568100 0.88 ITGB3 (0.52) PRSS1PRSS2PRSS3F2ST14
SCHEMBL9568115 0.88 SCN1A (0.46) PRSS1PRSS2PRSS3F2ST14
SCHEMBL9568098 0.88 PRSS1 (0.45) PRSS1PRSS2PRSS3F2ST14
Hydrochloric Acid SCHEMBL9568176 0.87 PRSS1 (0.47) PRSS1PRSS2PRSS3F2ST14

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