SCHEMBL4376189

SCHEMBL4376189

O=CCc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR1 O14842 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL7988201 0.89 FFAR1 (0.37) KCNH2ALDH1A1LMNAMAPTHPGD
SCHEMBL4382446 0.84 HRH3 (0.35) KCNH2LMNASMN1; SMN2CYP2D6HRH3
SCHEMBL4384169 0.84 ALDH1A1 (0.48) KCNH2ALDH1A1LMNAMAPTHPGD
SCHEMBL4384690 0.84 KCNH2 (0.34) KCNH2FFAR1CYP3A4CYP2D6CYP2C9
SCHEMBL4386689 0.82 LMNA (0.45) KCNH2ALDH1A1LMNAMAPTHPGD
SCHEMBL4376133 0.82 HRH3 (0.46) KCNH2FFAR1CYP3A4CYP2D6CYP2C9
SCHEMBL4390109 0.82 KCNH2 (0.39) KCNH2ALDH1A1MAPTCYP3A4CYP2D6
SCHEMBL4384666 0.81 LTA4H (0.33) KCNH2MAPTFFAR1HRH3
SCHEMBL4386379 0.81 KCNH2 (0.35) KCNH2MAPTSMN1; SMN2HRH3
SCHEMBL7991257 0.80 CYP3A4 (0.45) ALDH1A1LMNASMN1; SMN2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1996029298-A1 PROCESS FOR PRODUCING POLYFLUOROACYL COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-26 WO 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
US-4910348-A Reacting a polyfluoroalcoholate with a strong base CENTRAL GLASS COMPANY, LIMITED (JP) 1990-03-20 US disclosed