SCHEMBL4391797

SCHEMBL4391797

C[Si](C)(C)C#Cc1ccc(Oc2ccc(C#C[Si](C)(C)C)cc2CCCc2c[nH]cn2)c(CCCc2c[nH]cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRB2 P47870 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
SCHEMBL4377941 0.88
SCHEMBL4380953 0.84 HRH3 (0.35)
SCHEMBL4391791 0.78 KCNH2 (0.36)
SCHEMBL4383603 0.77 ADRA1A (0.42)
SCHEMBL4386727 0.76 PPARG (0.32)
SCHEMBL4383597 0.74 ADRA1A (0.42)
SCHEMBL4390054 0.71 L3MBTL1 (0.39)
SCHEMBL8795928 0.67 ADRA1A (0.41)
SCHEMBL5322896 0.67 HRH4 (0.32)
SCHEMBL8793556 0.66

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