SCHEMBL6980157

SCHEMBL6980157

N=C(N)c1ccc(CCC(=O)N2CCCc3c(NS(=O)(=O)c4ccccc4)cccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.43
PRSS1 P07477 5/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
TMPRSS6 Q8IU80 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLG P00747 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
METAP2 P50579 1/20 0.39
F10 P00742 2/20 0.38
POLB P06746 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
Hydrochloric Acid SCHEMBL7411475 0.99 F2 (0.44) F2PRSS1PRSS2PRSS3ITGB3
SCHEMBL6982743 0.87 F2 (0.42) F2PRSS1PRSS2PRSS3ITGB3
SCHEMBL6982233 0.86 TDP1 (0.41) TDP1METAP2POLB
SCHEMBL6982740 0.82 NR3C1 (0.59) F2
Hydrochloric Acid SCHEMBL6985288 0.82 OGG1 (0.49) F2TMPRSS6TDP1
Hydrochloric Acid SCHEMBL6981078 0.82 NR3C1 (0.58) F2
Hydrochloric Acid SCHEMBL6980868 0.80 NR3C1 (0.56) F2TMPRSS6
SCHEMBL6984822 0.79 SLC16A3 (0.40) F2PRSS1PRSS2PRSS3PLG
Hydrochloric Acid SCHEMBL6985450 0.78 ADRB2 (0.56) TMPRSS6POLB
Hydrochloric Acid SCHEMBL6976392 0.78 KMT2A (0.53) F2TMPRSS6

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 9 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
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US 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
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US disclosed
US-6300342-B1 FOR THERAPY OR INHIBITING THROMBUS FORMATION; FOR THERAPY OF FIBRIN-DEPENDENT INFLAMMATORY CONDITION BOEHRINGER INGELHEIM PHARM KG (DE) 2001-10-09 US 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