SCHEMBL7787713

SCHEMBL7787713

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

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ENPP2 Q13822 1/20 0.37
SIRT2 Q8IXJ6 14/20 0.34

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
Formic Acid SCHEMBL7797545 0.80 SIRT2 (0.37) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL8608329 0.79 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL15487989 0.78 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7784539 0.78 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7786406 0.78 CYP11B1 (0.40) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7787709 0.77 CYP11B1 (0.37) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7786397 0.77 CYP11B1 (0.39) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL7787692 0.75 SIRT2 (0.41) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL312750 0.72 CYP11B1 (0.43) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL5891927 0.72 SIRT2 (0.46) CYP11B1CYP11B2ENPP2SIRT2

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-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
US-5652258-A HISTAMINE ANTAGONISTS GLIATECH, INC. (US) 1997-07-29 US disclosed