SCHEMBL4544138

SCHEMBL4544138

CC(=O)CCOCCCc1c[nH]cn1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11199472 0.83 PDE4A (0.30)
SCHEMBL8227646 0.81 ALDH1A1 (0.38) ALDH1A1
SCHEMBL25754952 0.81 PDE3B (0.34)
SCHEMBL4378585 0.80 ALDH1A1 (0.53) HRH3ALDH1A1
SCHEMBL7991263 0.80 HRH3 (0.33) HRH3
SCHEMBL4385056 0.79 HRH3 (0.32) HRH3
SCHEMBL4383472 0.79 ALDH1A1 (0.46) HRH3ALDH1A1
SCHEMBL7977343 0.78 HRH3 (0.32) HRH3
SCHEMBL7991392 0.78 HRH3 (0.33) HRH3
SCHEMBL4383862 0.78 ALDH1A1 (0.46) HRH3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP claimed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed