SCHEMBL4381289

SCHEMBL4381289

O=C/C=C/c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PPARA Q07869 2/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
KCNH2 Q12809 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PTPN1 P18031 2/20 0.35
PPARG P37231 1/20 0.34
AHR P35869 1/20 0.33
TRPA1 O75762 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 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
SCHEMBL4381291 1.00 HRH4 (0.35) HRH4HRH3PPARAS1PR1S1PR3
SCHEMBL4384169 0.86 ALDH1A1 (0.48) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL4378565 0.81 CDK4 (0.34) HRH4HRH3KCNH2
SCHEMBL4390107 0.81 KCNH2 (0.38) HRH3ALDH1A1HPGDKCNH2SMN1; SMN2
SCHEMBL4376189 0.80 KCNH2 (0.37) HRH3ALDH1A1MAPTLMNAHPGD
SCHEMBL4379690 0.77 KMT2A (0.52) ALDH1A1MAPTKCNH2SMN1; SMN2MAPK1
SCHEMBL7988201 0.77 FFAR1 (0.37) HRH3S1PR1S1PR3ALDH1A1MAPT
Oxalic Acid SCHEMBL7976828 0.77 HRH3 (0.36) HRH4HRH3PPARAPPARG
SCHEMBL7987297 0.76 HRH3 (0.54) HRH3ALDH1A1MAPTLMNAHPGD
SCHEMBL7961327 0.76 RAB9A (0.43) HRH3ALDH1A1LMNAHPGDKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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