SCHEMBL7779583

SCHEMBL7779583

O=C(NCCC1CCCCC1)[C@@H]1C[C@H]1c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.39
HRH4 Q9H3N8 4/20 0.38
HRH3 Q9Y5N1 4/20 0.38
EPHX1 P07099 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
METTL3 Q86U44 1/20 0.35
ALPL P05186 1/20 0.34
ALOX15 P16050 1/20 0.34
PRMT3 O60678 2/20 0.34
CHRM4 P08173 1/20 0.34
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8395086 1.00 SIGMAR1 (0.39) SIGMAR1HRH4HRH3EPHX1NPC1
Hydrochloric Acid SCHEMBL7784622 0.99 SIGMAR1 (0.38) SIGMAR1HRH4HRH3EPHX1NPC1
Hydrochloric Acid SCHEMBL8476932 0.99 SIGMAR1 (0.38) SIGMAR1HRH4HRH3EPHX1NPC1
Hydrochloric Acid SCHEMBL7784625 0.99 SIGMAR1 (0.38) SIGMAR1HRH4HRH3EPHX1NPC1
Maleic Acid SCHEMBL8398515 0.94 HRH4 (0.43) SIGMAR1HRH4HRH3EPHX1NPC1
Fumaric Acid SCHEMBL7779684 0.94 HRH4 (0.43) SIGMAR1HRH4HRH3EPHX1NPC1
SCHEMBL7787710 0.93 SIGMAR1 (0.42) SIGMAR1HRH4HRH3RAB9AMEN1
SCHEMBL7779566 0.93 SIGMAR1 (0.42) SIGMAR1HRH4HRH3RAB9AMEN1
SCHEMBL7779569 0.93 SIGMAR1 (0.42) SIGMAR1HRH4HRH3RAB9AMEN1
SCHEMBL7786425 0.92 SIGMAR1 (0.42) 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