SCHEMBL4382483

SCHEMBL4382483

Fc1ccc(C(c2ccccc2)C(CCc2c[nH]cn2)OC(CCc2c[nH]cn2)C(c2ccccc2)c2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 12/20 0.40
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL9728037 0.85 CYP19A1 (0.55) CYP19A1MEN1KMT2A
SCHEMBL9728051 0.81 CYP19A1 (0.51) CYP19A1MEN1KMT2A
SCHEMBL9122689 0.80 CYP19A1 (0.56) CYP19A1SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7987762 0.76 MAPK1 (0.52) SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9641597 0.76 HRH1 (0.44) CYP19A1
SCHEMBL9119601 0.75 CYP19A1 (0.54) CYP19A1
SCHEMBL14280316 0.75 MAPK1 (0.48) SLC6A4SLC6A3MEN1KMT2A
SCHEMBL14414196 0.73 SLC6A4 (0.49) SLC6A4SLC6A3
SCHEMBL9641594 0.73 CYP19A1 (0.56) CYP19A1SLC6A4
SCHEMBL11348998 0.72 DHFR (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP 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