SCHEMBL9837440

SCHEMBL9837440

COC(=O)C(Cc1cncn1Cc1ccc(OC)c(C)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.42
ITGB7 P26010 2/20 0.42
KLK5 Q9Y337 1/20 0.40
CYP11B1 P15538 5/20 0.39
CYP11B2 P19099 5/20 0.39
ACE P12821 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
ACE2 Q9BYF1 4/20 0.37
TACR1 P25103 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 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
SCHEMBL9837445 1.00 ITGA4 (0.42) ITGA4ITGB7KLK5CYP11B1CYP11B2
SCHEMBL503425 0.87 GSTP1 (0.46) KLK5CYP11B1CYP11B2ACEACE2
SCHEMBL9837838 0.85 GSTP1 (0.44) KLK5CYP11B1CYP11B2ACEACE2
SCHEMBL9837834 0.85 GSTP1 (0.44) KLK5CYP11B1CYP11B2ACEACE2
SCHEMBL8254417 0.84 CYP11B1 (0.53) KLK5CYP11B1CYP11B2ACEACE2
SCHEMBL9838711 0.83 TACR1 (0.50) ITGA4ITGB7KLK5CYP11B1CYP11B2
SCHEMBL9838717 0.83 TACR1 (0.50) ITGA4ITGB7KLK5CYP11B1CYP11B2
SCHEMBL30674909 0.77 KLK5 (0.46) ITGA4ITGB7KLK5ACE
Histidine SCHEMBL18301539 0.76 GSTP1 (0.37) ITGA4ITGB7KLK5ACEACE2
Histidine SCHEMBL18301538 0.76 GSTP1 (0.37) ITGA4ITGB7KLK5ACEACE2

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