SCHEMBL4382478

SCHEMBL4382478

CC(O)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.39
KCNH2 Q12809 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL4384964 0.89 CYP17A1 (0.36) PPARGKCNH2MEN1KMT2AHRH3
SCHEMBL7988365 0.89 MEN1 (0.48) PPARGKCNH2MEN1KMT2AHRH3
SCHEMBL4379596 0.85 ALDH1A1 (0.49) KCNH2MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4379134 0.82 HRH3 (0.39) HRH3SMN1; SMN2MAPK1
SCHEMBL4389358 0.82 HRH3 (0.50) KCNH2HRH3
Oxalic Acid SCHEMBL7991342 0.81 LMNA (0.54) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7987297 0.81 HRH3 (0.54) KCNH2MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL4380966 0.81 NQO1 (0.45) KCNH2MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL4392013 0.80 HRH3 (0.43) HRH3MAPK1
SCHEMBL7976959 0.79 ITGB3 (0.36) PPARGKCNH2HRH3

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
WO-1996030048-A1 PROTEIN KINASE C INHIBITORS ELI LILLY AND COMPANY (US) 1996-10-03 WO 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