SCHEMBL8997706

SCHEMBL8997706

[CH2]COCc1c(C)cc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL7890511 0.85 HRH3 (0.39) HRH3CYP11B1CYP11B2RAPGEF4HTR1D
SCHEMBL2092495 0.79 HRH3 (0.31) HRH3
SCHEMBL5702537 0.79 HRH3 (0.35) HRH3CYP11B1CYP11B2RAPGEF4HTR1D
SCHEMBL2091194 0.77 SLC22A12 (0.36) HTR1D
SCHEMBL29083610 0.77 HRH3 (0.34) HRH3CYP11B1CYP11B2RAPGEF4HTR1D
SCHEMBL29083597 0.77 HRH3 (0.34) HRH3CYP11B1CYP11B2RAPGEF4HTR1D
SCHEMBL18092255 0.77 KMT2A (0.33) HRH3CYP11B1CYP11B2
SCHEMBL16542347 0.77 L3MBTL1 (0.32) HRH3CYP11B1CYP11B2
SCHEMBL6142873 0.76 CYP11B1 (0.38) HRH3CYP11B1CYP11B2RAPGEF4HTR1D
SCHEMBL18092254 0.76 PTPN1 (0.35) HRH3CYP11B1CYP11B2RAPGEF4HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0500621-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS Pfizer Limited (GB) 1992-09-02 EP claimed
WO-1991010644-A1 CYCLOALKYL-SUBSTITUTED GLUTARAMIDE DIURETIC AGENTS PFIZER LIMITED (GB) 1991-07-25 WO claimed
EP-0728144-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES Chiroscience Limited (GB) 1996-08-28 EP disclosed
WO-1995013289-A1 PEPTIDYL COMPOUNDS AND THEIR THERAPEUTIC USE AS INHIBITORS OF METALLOPROTEINASES CHIROSCIENCE LIMITED (GB) 1995-05-18 WO disclosed
EP-0602025-A1 N-(1-(2-CARBOXYETHYL)CYCLOALKYL CARBONYL)-BETA-ALANINE DERIVATIVES FOR PHARMACEUTICAL USE Pfizer Limited (GB) 1994-06-22 EP disclosed