SCHEMBL4386727

SCHEMBL4386727

CC(C)c1ccc(Oc2ccc(C(C)C)cc2CCCc2c[nH]cn2)c(CCCc2c[nH]cn2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.32
HTR1D P28221 3/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
HTR1B P28222 2/20 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
SCHEMBL4383603 0.81 ADRA1A (0.42)
SCHEMBL4377941 0.78
SCHEMBL4391797 0.76 GABRA1 (0.32)
SCHEMBL4379680 0.75 KDM4E (0.49) PPARGALDH1A1LMNA
SCHEMBL4383597 0.75 ADRA1A (0.42)
SCHEMBL4386723 0.74 KDM4E (0.32) PPARGLMNA
SCHEMBL28984991 0.74 HTR2A (0.39) PPARGL3MBTL1
SCHEMBL7988365 0.74 MEN1 (0.48) PPARGALDH1A1LMNA
SCHEMBL4380953 0.74 HRH3 (0.35)
SCHEMBL4390054 0.72 L3MBTL1 (0.39) HTR1DLMNAL3MBTL1HTR1B

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
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