SCHEMBL4387545

SCHEMBL4387545

CC(C)(C)C#Cc1ccc(C(CCc2c[nH]cn2)OC(CCc2c[nH]cn2)c2ccc(C#CC(C)(C)C)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL4388945 0.81
SCHEMBL7991000 0.79 HRH3 (0.39) HRH3HAO1
SCHEMBL4383673 0.73 CA1 (0.36)
SCHEMBL4387548 0.73 HRH3 (0.36) HRH3HAO1
SCHEMBL7994425 0.72 HRH3 (0.37) HRH3HAO1
SCHEMBL4394318 0.70 SLC6A4 (0.33) HRH3
SCHEMBL4379648 0.68 AKT2 (0.33)
SCHEMBL9092376 0.67 CYP19A1 (0.55)
SCHEMBL4378046 0.67
SCHEMBL9641471 0.65 CYP19A1 (0.51)

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