SCHEMBL4382434

SCHEMBL4382434

c1ccc(C(CCCc2c[nH]cn2)COCC(CCCc2c[nH]cn2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.32
IDO1 P14902 1/20 0.30

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
SCHEMBL8794078 0.86 ALDH1A1 (0.35) CYP19A1
SCHEMBL9120160 0.83 CYP19A1 (0.45) CYP19A1
SCHEMBL9119383 0.82 CYP19A1 (0.43) CYP19A1
SCHEMBL9641597 0.79 HRH1 (0.44) CYP19A1
SCHEMBL4376571 0.78 HRH3 (0.31)
SCHEMBL9728465 0.78 CYP19A1 (0.43) CYP19A1
SCHEMBL9122156 0.78 HRH1 (0.42) CYP19A1
SCHEMBL9728379 0.77 CYP19A1 (0.42) CYP19A1
SCHEMBL9121583 0.77 HRH1 (0.41) CYP19A1
SCHEMBL9120866 0.76 CYP19A1 (0.58) CYP19A1

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
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
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