SCHEMBL2019716

SCHEMBL2019716

CC1(CNCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOA P21397 1/20 0.45
MAPT P10636 2/20 0.44
CHRM2 P08172 1/20 0.44
GAA P10253 1/20 0.44
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH7 P40394 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
DPP7 Q9UHL4 2/20 0.41
TP53 P04637 1/20 0.41

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
Hydrochloric Acid SCHEMBL27690675 0.98 MEN1 (0.48) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL23023065 0.91 MEN1 (0.45) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL25207644 0.83 OPRM1 (0.52) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL4267534 0.81 ANPEP (0.39) TDP1KDM4ECYP3A4CA12CA2
SCHEMBL2018774 0.81 CHRM2 (0.51) MAOAMAPTCHRM2GAACYP3A4
SCHEMBL23023165 0.80 MEN1 (0.42) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL23023164 0.80 MEN1 (0.42) MEN1KMT2ATDP1MAOAMAPT
SCHEMBL18062276 0.78 CHRM2 (0.53) MEN1KMT2ACHRM2GAAKDM4E
SCHEMBL14562793 0.77 KDM4E (0.43) MEN1KMT2ATDP1GAAKDM4E
SCHEMBL7918088 0.76 MAOA (0.55) MEN1KMT2ATDP1MAOAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810606-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2021-04-28 EP disclosed
WO-2019243550-A1 THIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS CAUSED BY IGE UCB Biopharma SRL (BE) 2019-12-26 WO disclosed
EP-2865664-B1 NOVEL COMPOUND HAVING ABILITY TO INHIBIT 11B-HSD1 ENZYME OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT BAMICHEM CO LTD (KR) 2017-11-01 EP disclosed
US-7968571-B2 2,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's Disease Merck, Sharp & Dohme, Corp. (US) 2011-06-28 US disclosed
CN-101061113-A 2,3,4,6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of alzheimer's disease MERCK & CO INC (US) 2007-10-24 CN disclosed
CN-1942467-A 2, 4, 6-substituted pyridyl derivative compounds useful as beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO INC (US) 2007-04-04 CN disclosed
CN-1882544-A Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer s disease MERCK & CO INC (US) 2006-12-20 CN disclosed