SCHEMBL8636289

SCHEMBL8636289

COC(=O)C1=C(C(=O)OC)CCC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 15/20 0.53
SLC6A2 P23975 10/20 0.49
ACHE P22303 2/20 0.47
SLC6A4 P31645 1/20 0.47
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL2131145 0.94 SLC6A3 (0.53) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL9561660 0.91 SLC6A3 (0.50) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL16817540 0.89 SLC6A3 (0.50) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL11755388 0.88 NPSR1 (0.46) SLC6A3SLC6A2ACHESLC6A4NPSR1
SCHEMBL5607056 0.88 NPSR1 (0.46) SLC6A3SLC6A2ACHESLC6A4NPSR1
SCHEMBL11755378 0.88 NPSR1 (0.46) SLC6A3SLC6A2ACHESLC6A4NPSR1
SCHEMBL29868840 0.87 SLC6A3 (0.49) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL2371417 0.85 SLC6A3 (0.54) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL757145 0.85 SLC6A3 (0.47) SLC6A3SLC6A2ACHESLC6A4
SCHEMBL1144125 0.84 SLC6A3 (0.46) SLC6A3SLC6A2ACHESLC6A4

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
CN-116102535-A Nitrogen-containing compound, preparation method and application thereof 索智生物科技(浙江)有限公司 2023-05-12 CN disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed
WO-2023066377-A1 NITROGEN-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 索智生物科技(浙江)有限公司 2023-04-27 WO disclosed
US-5736579-A ANTIARTHRITIC, ANTIPYRETIC AND ANALGESIC AGENTS G.D. SEARLE & CO. (US) 1998-04-07 US disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
WO-1993008163-A1 UNSATURATED AZABICYCLOAMINE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-29 WO disclosed
EP-0537556-A1 Unsaturated azabicycloamine compounds and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-04-21 EP disclosed