SCHEMBL4391999

SCHEMBL4391999

C/C(=N\O)c1ccc(OCCCc2c[nH]cn2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDR P35968 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 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
SCHEMBL4392008 1.00 KCNH2 (0.34) KCNH2THRATHRBHRH3MEN1
SCHEMBL4385149 0.87 MAOB (0.34) KCNH2
SCHEMBL4385158 0.87 MAOB (0.34) KCNH2
SCHEMBL4386375 0.86 HRH3 (0.42) THRATHRBHRH3
SCHEMBL647792 0.84 FURIN (0.43) KCNH2HRH3NPC1RAB9ALMNA
SCHEMBL647793 0.84 FURIN (0.43) KCNH2HRH3NPC1RAB9ALMNA
SCHEMBL4543075 0.80 PRSS1 (0.38) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL4543078 0.80 PRSS1 (0.38) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL4392001 0.77 KCNH2 (0.33) KCNH2HRH3MEN1NPC1RAB9A
SCHEMBL7991191 0.77 GAA (0.42) THRBHRH3MEN1NPC1RAB9A

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
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