SCHEMBL7991000

SCHEMBL7991000

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
HAO1 Q9UJM8 1/20 0.37
KCNH2 Q12809 2/20 0.35
SMN1; SMN2 Q16637 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 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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 0.85 KCNH2 (0.40) HRH3HAO1KCNH2SMN1; SMN2MEN1
SCHEMBL4391791 0.83 KCNH2 (0.36) HRH3KCNH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL4380956 0.81 HAO1 (0.40) HRH3HAO1KCNH2CYP1A2CYP3A4
SCHEMBL650642 0.79 HRH3 (0.46) HRH3ALDH1A1
SCHEMBL7987317 0.79 KCNH2 (0.39) HRH3KCNH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL4380966 0.79 NQO1 (0.45) HRH3KCNH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL7987297 0.79 HRH3 (0.54) HRH3KCNH2SMN1; SMN2MEN1ALDH1A1
SCHEMBL4387545 0.79 HRH3 (0.36) HRH3HAO1
SCHEMBL4386689 0.76 LMNA (0.45) HRH3KCNH2SMN1; SMN2ALDH1A1LMNA
SCHEMBL7961327 0.76 RAB9A (0.43) HRH3KCNH2MEN1ALDH1A1KMT2A

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