SCHEMBL4391791

SCHEMBL4391791

C[Si](C)(C)C#Cc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.35
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C9 P11712 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP19A1 P11511 2/20 0.33
CYP2C19 P33261 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4377932 0.86 KCNH2 (0.40) KCNH2HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL7991000 0.83 HRH3 (0.39) KCNH2HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL4380956 0.82 HAO1 (0.40) KCNH2HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL650642 0.80 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL7987317 0.80 KCNH2 (0.39) KCNH2HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL7987297 0.80 HRH3 (0.54) KCNH2HRH3CYP3A4CYP2C9SMN1; SMN2
SCHEMBL4380966 0.80 NQO1 (0.45) KCNH2HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL4391797 0.78 GABRA1 (0.32)
SCHEMBL4386689 0.77 LMNA (0.45) KCNH2HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL7961327 0.77 RAB9A (0.43) KCNH2HRH3MEN1ALDH1A1KMT2A

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
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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US 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