SCHEMBL7787710

SCHEMBL7787710

O=C(NCCCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
HRH4 Q9H3N8 5/20 0.41
HRH3 Q9Y5N1 5/20 0.41
NAMPT P43490 1/20 0.38
KDM1A O60341 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ADAMTS4 O75173 3/20 0.34
ADAMTS5 Q9UNA0 3/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
MMP8 P22894 1/20 0.34
KIT P10721 1/20 0.34
MAPK14 Q16539 1/20 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
SCHEMBL7779566 1.00 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTKDM1A
SCHEMBL7779569 1.00 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTKDM1A
SCHEMBL7779650 0.97 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTADAMTS4
SCHEMBL7786425 0.97 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTADAMTS4
SCHEMBL7779653 0.97 SIGMAR1 (0.42) SIGMAR1HRH4HRH3NAMPTADAMTS4
SCHEMBL8395086 0.93 SIGMAR1 (0.39) SIGMAR1HRH4HRH3MEN1RAB9A
SCHEMBL7779583 0.93 SIGMAR1 (0.39) SIGMAR1HRH4HRH3MEN1RAB9A
Hydrochloric Acid SCHEMBL7784622 0.92 SIGMAR1 (0.38) SIGMAR1HRH4HRH3MEN1RAB9A
Hydrochloric Acid SCHEMBL8476932 0.92 SIGMAR1 (0.38) SIGMAR1HRH4HRH3MEN1RAB9A
Hydrochloric Acid SCHEMBL7784625 0.92 SIGMAR1 (0.38) SIGMAR1HRH4HRH3MEN1RAB9A

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 2 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