SCHEMBL9837834

SCHEMBL9837834

COC(=O)C(Cc1cncn1Cc1ccc(C)c([N+](=O)[O-])c1)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.44
GSTM2 P28161 1/20 0.44
KLK5 Q9Y337 1/20 0.38
CYP11B1 P15538 5/20 0.38
CYP11B2 P19099 5/20 0.38
BCL2 P10415 3/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ACE P12821 4/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 1/20 0.36
ACE2 Q9BYF1 4/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9837838 1.00 GSTP1 (0.44) GSTP1GSTM2KLK5CYP11B1CYP11B2
SCHEMBL503425 0.93 GSTP1 (0.46) GSTP1GSTM2KLK5CYP11B1CYP11B2
SCHEMBL9837445 0.85 ITGA4 (0.42) KLK5CYP11B1CYP11B2ACEFNTA
SCHEMBL9837440 0.85 ITGA4 (0.42) KLK5CYP11B1CYP11B2ACEFNTA
SCHEMBL8254417 0.82 CYP11B1 (0.53) KLK5CYP11B1CYP11B2PPARGPPARA
Histidine SCHEMBL18301539 0.82 GSTP1 (0.37) GSTP1GSTM2KLK5BCL2PPARG
Histidine SCHEMBL18301538 0.82 GSTP1 (0.37) GSTP1GSTM2KLK5BCL2PPARG
SCHEMBL28058939 0.76 ALDH1A1 (0.48) CYP11B1CYP11B2ACEFNTAFNTB
SCHEMBL16245923 0.76 ALDH1A1 (0.48) CYP11B1CYP11B2ACEFNTAFNTB
SCHEMBL9838711 0.75 TACR1 (0.50) KLK5CYP11B1CYP11B2ACEFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0245637-B1 4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine derivatives and analogs having antihypertensive activity WARNER-LAMBERT COMPANY (US) 1991-10-16 EP disclosed
US-4816463-A HYPERTENSION WARNER-LAMBERT COMPANY (US) 1989-03-28 US disclosed
US-4812462-A 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid analogs having antihypertensive activity WARNER-LAMBERT COMPANY (US) 1989-03-14 US disclosed
EP-0245637-A1 4,5,6,7-Tetrahydro-1H-imidazo[4,5-c]pyridine derivatives and analogs having antihypertensive activity WARNER-LAMBERT COMPANY (US) 1987-11-19 EP disclosed