SCHEMBL2146291

SCHEMBL2146291

CC(C)(C)OC(=O)OC(=O)C1CCNC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
PMP22 Q01453 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34
SLC6A1 P30531 3/20 0.34
SLC6A11 P48066 2/20 0.34

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
SCHEMBL5746780 0.90 SLC6A1 (0.47) TSHRSLC6A1SLC6A11SLC6A13LMNA
SCHEMBL1514914 0.90 TSHR (0.41) TSHRGABRA5GABRB2GABRPGABRD
SCHEMBL1439361 0.89 SLC6A1 (0.42) TSHRSLC6A1SLC6A11SLC6A13LMNA
SCHEMBL951872 0.88 HRH3 (0.41) TSHRGABRA5GABRB2GABRPGABRD
SCHEMBL1034237 0.88 HRH3 (0.41) TSHRGABRA5GABRB2GABRPGABRD
SCHEMBL1415306 0.88 HRH3 (0.41) TSHRGABRA5GABRB2GABRPGABRD
SCHEMBL2561899 0.86 CHRNB2 (0.36) TSHRSMN1; SMN2KMT2AHRH3HPGD
Hydrochloric Acid SCHEMBL15904240 0.86 HRH3 (0.40) TSHRGABRA5GABRB2GABRPGABRD
Ammonia Solution, Strong SCHEMBL19327469 0.86 HRH3 (0.40) TSHRGABRA5GABRB2GABRPGABRD
Hydrochloric Acid SCHEMBL31172943 0.86 HRH3 (0.40) TSHRGABRA5GABRB2GABRPGABRD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118076599-A Dioxazines and their use in the treatment of GBA related diseases 泽拉丹麦有限公司 2024-05-24 CN disclosed
EP-4334310-A1 SUBSTITUTED SPIRO DERIVATIVES JANSSEN Pharmaceutica NV (BE) 2024-03-13 EP disclosed
WO-2024032561-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE (CDK) 12 AND/OR CDK13 AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-02-15 WO disclosed
WO-2023207881-A1 COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-11-02 WO disclosed
WO-2023040879-A1 DRUG DELIVERY SYSTEM FOR LOCALLY DELIVERING THERAPEUTIC AGENTS AND USES THEREOF COVAL BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2023-03-23 WO disclosed
EP-4146650-A1 BETA-LACTAMASE INHIBITORS AND THEIR PREPARATION Ningxia Academy of Agriculture and Forestry Sciences (CN) 2023-03-15 EP disclosed
EP-4114375-A1 FERROPTOSIS INHIBITORS-DIARYLAMINE PARA-ACETAMIDES Sironax Ltd (KY) 2023-01-11 EP disclosed
EP-3917936-A1 ALKYLBORONIC ACIDS AS ARGINASE INHIBITORS Guangdong Newopp Biopharmaceuticals Co., Ltd. (CN) 2021-12-08 EP disclosed
EP-3814326-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-05-05 EP disclosed
WO-2020160707-A1 ALKYLBORONIC ACIDS AS ARGINASE INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-08-13 WO disclosed
EP-3416960-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2018-12-26 EP disclosed
EP-3400228-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2018-11-14 EP disclosed
WO-2017141036-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LIMITED (GB) 2017-08-24 WO disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
EP-3148975-A1 NOVEL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-04-05 EP disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
EP-2794576-A1 NON-SYSTEMIC TGR5 AGONISTS Ardelyx, Inc. (US) 2014-10-29 EP disclosed
WO-2013096771-A1 NON-SYSTEMIC TGR5 AGONISTS ARDELYX, INC. (US) 2013-06-27 WO disclosed
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed
WO-2009072643-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-11 WO disclosed