SCHEMBL3717543

SCHEMBL3717543

C=CCC1Cc2ccccc2O1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.60
AOC2 O75106 5/20 0.42
MAOA P21397 5/20 0.42
MAOB P27338 5/20 0.42
DAO P14920 1/20 0.42
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
CA2 P00918 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL8429124 0.83 CA2 (0.51) HRH3HTR1AHTR1DCA2
SCHEMBL8426754 0.83 CA2 (0.51) HRH3HTR1AHTR1DCA2
SCHEMBL1682899 0.83 CA2 (0.51) HRH3HTR1AHTR1DCA2
SCHEMBL452349 0.82 HRH3 (0.49) HRH3AOC2MAOAMAOBDAO
SCHEMBL6723015 0.79 HRH3 (0.53) HRH3AOC2MAOAMAOBDAO
SCHEMBL10622758 0.79 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL10622772 0.79 HRH3 (0.47) HRH3AOC2MAOAMAOBDAO
SCHEMBL28390611 0.78 HRH3 (0.46) HRH3AOC2MAOAMAOBDAO
SCHEMBL16684498 0.78 SMN1; SMN2 (0.47) HRH3MAOAMAOBTSHR
SCHEMBL9843265 0.77 HRH3 (0.45) HRH3AOC2MAOAMAOBDAO

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP claimed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO claimed
JP-8092246-A None JP disclosed
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
JP-H0892246-A DIHYDROBENZOFURAN DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME DAINIPPON INK & CHEM INC 1996-04-09 JP disclosed
US-5175173-A Reduced side effects SUN JUNG HUI (US) 1992-12-29 US disclosed
US-5126364-A Antiemetics, antipsychotics ERBAMONT, INC. (US) 1992-06-30 US disclosed
EP-0234872-B1 CARBOXAMIDES USEFUL AS ANTIEMETIC OR ANTIPSYCHOTIC AGENTS Erbamont Inc. (US) 1991-11-27 EP disclosed
EP-0147044-B1 BENZOFURANCARBOXAMIDES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM ADRIA LABORATORIES INC. (US) 1990-04-25 EP disclosed
US-4888353-A Carboxamides useful as antiemetic or antipsychotic agents ERBAMONT, INC. (US) 1989-12-19 US disclosed
EP-0234872-A1 Carboxamides useful as antiemetic or antipsychotic agents Erbamont Inc. (US) 1987-09-02 EP disclosed
EP-0147044-A2 Benzofurancarboxamides, process for their preparation and pharmaceutical preparations containing them ADRIA LABORATORIES INC. (US) 1985-07-03 EP disclosed
US-4254140-A USED FOR CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENT SMITHKLINE CORPORATION (US) 1981-03-03 US disclosed