SCHEMBL6982743

SCHEMBL6982743

N=C(N)c1ccc(CCC(=O)N2CCCc3cccc(NS(=O)(=O)c4ccccc4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.42
PRSS1 P07477 4/20 0.42
PRSS2 P07478 2/20 0.42
PRSS3 P35030 2/20 0.42
GAA P10253 1/20 0.41
TMPRSS6 Q8IU80 2/20 0.40
F10 P00742 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
NR3C1 P04150 1/20 0.39
PLG P00747 1/20 0.38
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
METAP2 P50579 1/20 0.38

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
SCHEMBL6984822 0.92 SLC16A3 (0.40) F2PRSS1PRSS2PRSS3GAA
SCHEMBL6984843 0.90 GAA (0.43) GAANR3C1METAP2
SCHEMBL6980157 0.87 F2 (0.43) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL7411475 0.86 F2 (0.44) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6986102 0.85 MAPT (0.41) F2PRSS1F10ITGB3ITGA2B
SCHEMBL6985322 0.85 GAA (0.41) GAANR3C1METAP2
SCHEMBL6984122 0.84 F2 (0.42) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6982528 0.84 MRGPRX1 (0.47) F2PRSS1F10ITGB3ITGA2B
SCHEMBL6985320 0.83 F2 (0.44) F2PRSS1PRSS2PRSS3GAA
SCHEMBL6981764 0.82 METAP2 (0.42) GAAMETAP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP claimed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO claimed
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed
EP-0991624-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT Boehringer Ingelheim Pharma KG (DE) 2000-04-12 EP disclosed
WO-1999000371-A1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-01-07 WO disclosed