SCHEMBL6985320

SCHEMBL6985320

N=C(N)c1ccc(CCCN2CCCc3cccc(NS(=O)(=O)c4ccccc4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.44
PRSS1 P07477 4/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
MGAT2 Q10469 2/20 0.43
TMPRSS6 Q8IU80 2/20 0.41
PTGER4 P35408 1/20 0.40
PTGER2 P43116 1/20 0.40
F10 P00742 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
METAP2 P50579 1/20 0.37

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
SCHEMBL6983684 0.84 MGAT2 (0.42) MGAT2ALDH1A1HPGDKDM4EGAA
SCHEMBL6982743 0.83 F2 (0.42) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6980873 0.81 NR3C1 (0.51) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL6984382 0.81 NR3C1 (0.50) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6984822 0.76 SLC16A3 (0.40) F2PRSS1PRSS2PRSS3PTGER4
SCHEMBL6980157 0.73 F2 (0.43) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL7411475 0.73 F2 (0.44) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6984843 0.72 GAA (0.43) ALDH1A1GAAMETAP2
SCHEMBL6984122 0.71 F2 (0.42) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL6986102 0.69 MAPT (0.41) F2PRSS1F10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP claimed
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