SCHEMBL28019673

SCHEMBL28019673

CC(C)(C)OC(=O)CC1CNCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 3/20 0.39
HTR2A P28223 2/20 0.37
SLC6A4 P31645 2/20 0.37
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ADRA2C P18825 1/20 0.37
MIF P14174 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL28292221 0.88 SSTR4 (0.39) SSTR4HTR2ASLC6A4ADRB2HTR1A
SCHEMBL1655323 0.82 ADRA2C (0.42) SSTR4HTR2ASLC6A4ADRB2HTR1A
Hydrochloric Acid SCHEMBL15550523 0.81 ADRA2C (0.41) SSTR4HTR2ASLC6A4ADRB2HTR1A
SCHEMBL29121107 0.80 EPHX2 (0.38) SSTR4HTR2ASLC6A4ADRB2HTR1A
SCHEMBL2921129 0.79 SLC6A2 (0.43) SSTR4HTR2ASLC6A4ADRB2HTR1A
SCHEMBL27609653 0.79 SLC6A2 (0.38) SSTR4HTR2ASLC6A4ADRB2HTR1A
SCHEMBL30275082 0.79 SLC6A2 (0.43) SSTR4HTR2ASLC6A4ADRB2HTR1A
SCHEMBL754567 0.78 HCRTR2 (0.40) SSTR4HTR2ASLC6A4ADRB2HTR1A
SCHEMBL12070332 0.78 HCRTR2 (0.40) SSTR4HTR2ASLC6A4ADRB2HTR1A
SCHEMBL1266666 0.78 HCRTR2 (0.40) SSTR4HTR2ASLC6A4ADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115244047-A Indazole derivative and application thereof in medicine 四川海思科制药有限公司 2022-10-25 CN disclosed
CN-110573508-B Fused imidazo-piperidine JAK inhibitor compounds 施万生物制药研发IP有限责任公司 2022-07-05 CN disclosed
CN-110573508-A Fused imidazo-piperidine JAK inhibitor compounds 施万生物制药研发IP有限责任公司 2019-12-13 CN disclosed
CN-106008466-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2018-12-14 CN disclosed
CN-105873920-B As 5-HT4The indazole compound of receptor stimulating agent 苏文生命科学有限公司 2018-06-08 CN disclosed
CN-106008466-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES 艾伯维公司 2016-10-12 CN disclosed
CN-105873920-A Indazole compounds as 5-HT4 receptor agonists 苏文生命科学有限公司 2016-08-17 CN disclosed
CN-102307622-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases 艾伯维公司 2016-08-17 CN disclosed
CN-104906100-A Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LAB 2015-09-16 CN disclosed
CN-104876927-A APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LAB 2015-09-02 CN disclosed
CN-104812740-A Novel acetamide derivatives as TRP channel antagonists HOFFMANN LA ROCHE 2015-07-29 CN disclosed
CN-102448959-B Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE BAHAMAS LTD 2015-06-17 CN disclosed