SCHEMBL7779653

SCHEMBL7779653

O=C(NCCCCC1CCCCC1)C1CC1c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.42
HRH4 Q9H3N8 5/20 0.41
HRH3 Q9Y5N1 5/20 0.41
NAMPT P43490 1/20 0.41
ADAMTS5 Q9UNA0 8/20 0.38
ADAMTS4 O75173 6/20 0.38
MMP8 P22894 1/20 0.37

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
SCHEMBL7779650 1.00 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTADAMTS5
SCHEMBL7786425 1.00 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTADAMTS5
SCHEMBL7779569 0.97 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTADAMTS5
SCHEMBL7779566 0.97 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTADAMTS5
SCHEMBL7787710 0.97 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTADAMTS5
SCHEMBL8395086 0.92 SIGMAR1 (0.39) SIGMAR1HRH4HRH3
SCHEMBL7779583 0.92 SIGMAR1 (0.39) SIGMAR1HRH4HRH3
Hydrochloric Acid SCHEMBL8476932 0.91 SIGMAR1 (0.38) SIGMAR1HRH4HRH3
Hydrochloric Acid SCHEMBL7784622 0.91 SIGMAR1 (0.38) SIGMAR1HRH4HRH3
Hydrochloric Acid SCHEMBL7784625 0.91 SIGMAR1 (0.38) SIGMAR1HRH4HRH3

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