SCHEMBL4386722

SCHEMBL4386722

CCC(c1c[nH]cn1)c1cc(Oc2ccc(C(C)C)c(C(CC)c3c[nH]cn3)c2)ccc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.32
THRB P10828 4/20 0.32
LTA4H P09960 1/20 0.31
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL4383591 0.83 ADRA2A (0.37) THRBLMNAGAAKMT2A
SCHEMBL10000937 0.69 THRB (0.40) THRATHRBLMNA
SCHEMBL2104464 0.68 CYP19A1 (0.36) KDM4E
SCHEMBL4386723 0.68 KDM4E (0.32) KDM4ELMNAGAAKMT2A
SCHEMBL2104158 0.67 CHRM2 (0.41) KDM4ELMNA
SCHEMBL16804564 0.67 THRB (0.39) THRATHRBLTA4HLMNAGAA
SCHEMBL10550592 0.67 ADRA2A (0.39)
SCHEMBL2103259 0.66 CES2 (0.31)
SCHEMBL2104730 0.66 TSHR (0.43) GAAKMT2A
SCHEMBL18933828 0.64 THRB (0.36) THRATHRB

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