SCHEMBL432693

SCHEMBL432693

Fc1[c]ccc(C2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
ACMSD Q8TDX5 2/20 0.38
BACE1 P56817 1/20 0.37
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
EPHX2 P34913 1/20 0.36
CYP11B2 P19099 1/20 0.35
PDK2 Q15119 1/20 0.35
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSP90AA1 P07900 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTR1D P28221 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 1/20 0.31
APP P05067 1/20 0.31
HTT P42858 2/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL1419195 0.92 POLB (0.32) PDK2
SCHEMBL29158032 0.81 QDPR (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL2265769 0.81 DRD2 (0.48) CYP2D6SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL1778645 0.78 KMO (0.40) KMOACMSDBACE1HDAC4HDAC2
SCHEMBL6568489 0.77 KMO (0.39) KMOACMSDBACE1HDAC4HDAC2
SCHEMBL29125236 0.77 KMO (0.39) KMOACMSDBACE1HDAC4HDAC2
SCHEMBL3988981 0.77 BACE1 (0.44) KMOACMSDBACE1HDAC4HDAC2
SCHEMBL28370039 0.77 KMO (0.39) KMOACMSDBACE1HDAC4HDAC2
SCHEMBL435127 0.77 KMO (0.39) KMOACMSDBACE1HDAC4HDAC2
SCHEMBL28299092 0.76 HDAC8 (0.38) KMOACMSDBACE1HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785794-B1 ENTERIC COATED COMPOSITIONS OF 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC OR AGONISTIC ACTIVITY GLAXO WELLCOME INC (US) 2001-12-19 EP claimed
EP-0785787-B1 USE OF 1,5-BENZODIAZEPINE DERIVATIVES FOR THE CONTROL OF GASTRIC EMPTYING IN PATIENTS WITH NON-INSULIN DEPENDENT DIABETES MELLITUS GLAXO WELLCOME INC (US) 2001-12-12 EP claimed
EP-0694039-B1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC AND OR AGONISTIC ACTIVITY GLAXO WELLCOME INC (US) 2001-01-24 EP claimed
US-5910495-A TREATING RAPID GASTRIC EMPTYING IN NON-INSULIN DEPENDENT DIABETIC CONDITIONS; AGONIST ACTIVITY FOR CHOLECYSTOKININ-A RECEPTOR GLAXO WELLCOME INC. (US) 1999-06-08 US claimed
US-5780464-A MODULATORS FOR HORMONES CHOLECYSTOKININ (CCK) AND GASTRIN IN MAMMALS; BIOAVAILABILITY GLAXO WELLCOME INC. (US) 1998-07-14 US claimed
US-5646140-A CHOLECYSTOKININ ANTAGONIST; APETITE CONTROL GLAXO WELLCOME INC. (US) 1997-07-08 US claimed
EP-0694039-A1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC OR AGONISTIC ACTIVITY GLAXO WELLCOME INC. (US) 1996-01-31 EP claimed
WO-1994024149-A1 1,5-BENZODIAZEPINE DERIVATIVES HAVING CCK ANTAGONISTIC OR AGONISTIC ACTIVITY GLAXO INC. (US) 1994-10-27 WO claimed
EP-3621141-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2020-03-11 EP disclosed
US-20190229372-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-25 US disclosed
US-10333172-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-25 US disclosed
US-10290901-B2 2019-05-14 US disclosed
US-20170084955-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-23 US disclosed
US-20150056503-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-02-26 US disclosed
EP-2595985-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
EP-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
WO-2012010567-A1 ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed
EP-2012386-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2009-01-07 EP disclosed