SCHEMBL6451890

SCHEMBL6451890

N=C(N)c1ccc(NCCc2nc3cc(C4(C(=O)N5CCCC5)CC4)ccc3[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 10/20 0.60
F10 P00742 3/20 0.60
PRSS1 P07477 2/20 0.60
PRSS2 P07478 2/20 0.60
PRSS3 P35030 2/20 0.60
PLG P00747 2/20 0.50
KLK1 P06870 4/20 0.43
KLK5 Q9Y337 4/20 0.43
F9 P00740 1/20 0.39

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
SCHEMBL6455654 0.83 F2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL6457229 0.76 F2 (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL6455724 0.75 F2 (0.39) F2F10PRSS1PRSS2PRSS3
SCHEMBL6450643 0.75 F2 (0.40) F2F10PRSS1PLGKLK1
SCHEMBL4451561 0.75 F2 (1.00) F2F10PRSS1PRSS2PRSS3
SCHEMBL7450241 0.75 F2 (0.57) F2F10PRSS1PRSS2PRSS3
SCHEMBL6450440 0.75 KLK1 (0.38) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7410692 0.75 F2 (0.98) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL7460376 0.74 F2 (0.97) F2F10PRSS1PRSS2PRSS3
SCHEMBL7450587 0.73 F2 (0.52) F2F10PRSS1PRSS2PRSS3

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-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP claimed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO claimed
EP-1517687-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-30 EP disclosed
WO-2004000310-A1 MEDICAMENT FOR THE TREATMENT OF THE SYSTEMIC INFLAMMATORY RESPONSE SYNDROME BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-12-31 WO disclosed
EP-1095025-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-05-02 EP disclosed
WO-2000001704-A2 BENZIMIDAZOLES, PRODUCTION THEREOF AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-01-13 WO disclosed