SCHEMBL7787709

SCHEMBL7787709

O=C(C1(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CC1)C1(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
SIRT2 Q8IXJ6 15/20 0.37
ENPP2 Q13822 1/20 0.37
HSD11B1 P28845 3/20 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
SCHEMBL15487989 0.81 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL7784539 0.78 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL7786406 0.78 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL7787692 0.78 SIRT2 (0.41) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL7787713 0.77 CYP11B1 (0.37) CYP11B1CYP11B2SIRT2ENPP2
Formic Acid SCHEMBL7797545 0.77 SIRT2 (0.37) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL7786397 0.77 CYP11B1 (0.39) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL8608329 0.77 CYP11B1 (0.39) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL31645949 0.74 ENPP2 (0.35) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL31646062 0.73 ENPP2 (0.34) CYP11B1CYP11B2SIRT2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837679-B1 2-(1H-4(5)-IMIDAZOYL) CYCLOPROPYL DERIVATIVES GLIATECH INC (US) 2001-10-24 EP disclosed
US-6008240-A AN ANTAGONIST OF HISTAMINE H3 RECEPTORS; FOR TREATING ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE (HYPER OR HYPOTENSION), GASTROINTESTINAL DISORDERS, CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-12-28 US disclosed
US-5990317-A HISTAMINE H3 RECEPTOR ANTAGONIST FOR TREATING CNS DISORDERS INVOLVING ATTENTION OR COGNITIVE DISORDERS GLIATECH, INC. (US) 1999-11-23 US disclosed