SCHEMBL4381069

SCHEMBL4381069

Clc1ccc(CCCC(CCc2c[nH]cn2)OC(CCCc2ccc(Cl)cc2Cl)CCc2c[nH]cn2)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACLY P53396 8/20 0.35
S1PR4 O95977 1/20 0.35
IDO1 P14902 4/20 0.34
DAO P14920 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL7976788 0.82 S1PR4 (0.41) S1PR4IDO1DAOMAOAMAOB
SCHEMBL650316 0.82 PPARG (0.38) MAOB
SCHEMBL20595886 0.76 SMN1; SMN2 (0.45) IDO1MEN1KMT2A
SCHEMBL4381064 0.75 S1PR4 (0.36) ACLYS1PR4IDO1DAOMAOA
SCHEMBL8115701 0.73 DAO (0.33) DAO
SCHEMBL8105600 0.73 CYP19A1 (0.36) IDO1
SCHEMBL8115974 0.73 SLC6A4 (0.36)
SCHEMBL4385144 0.72
SCHEMBL8118972 0.71 HMOX1 (0.34)
SCHEMBL8114784 0.71 CYP19A1 (0.41)

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