SCHEMBL4392013

SCHEMBL4392013

CC(C)C(=O)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
RARB P10826 1/20 0.39
NPC1 O15118 1/20 0.38
BCHE P06276 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
RAB9A P51151 1/20 0.38
HRH4 Q9H3N8 1/20 0.38

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
SCHEMBL4376187 0.85 L3MBTL1 (0.59) HRH3L3MBTL1GAAMAOB
SCHEMBL7977335 0.83 SMN1; SMN2 (0.51) HRH3L3MBTL1GAANPC1RAB9A
SCHEMBL7987565 0.81 L3MBTL1 (0.55) HRH3L3MBTL1NPC1ADRA2CACHE
SCHEMBL7987181 0.81 GAA (0.55) HRH3L3MBTL1GAAMAPK1HRH4
SCHEMBL4382478 0.80 PPARG (0.39) HRH3MAPK1
SCHEMBL7987591 0.80 HRH3 (0.42) HRH3L3MBTL1
SCHEMBL7988365 0.80 MEN1 (0.48) HRH3NPC1MAOBRAB9A
SCHEMBL7987248 0.80 HRH3 (0.47) HRH3GAA
SCHEMBL7990745 0.79 HRH2 (0.57) L3MBTL1
SCHEMBL7961178 0.79 HRH3 (0.58) HRH3L3MBTL1GAAMAOB

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 6 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-0788498-A1 PHENYLOXAZOLIDINONE ANTIMICROBIALS PHARMACIA & UPJOHN COMPANY (US) 1997-08-13 EP 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
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