SCHEMBL8325402

SCHEMBL8325402

C=C(C)C(N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
PTGS1 P23219 1/20 0.61
XIAP P98170 1/20 0.61
SLC7A5 Q01650 1/20 0.61
SLC6A2 P23975 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
MAOA P21397 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
CYP2A6 P11509 1/20 0.56
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
EPHX1 P07099 1/20 0.54
CYP2D6 P10635 1/20 0.52
SLC15A1 P46059 1/20 0.52
LTA4H P09960 1/20 0.49
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47

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
SCHEMBL21417480 1.00 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19143425 0.88 ALPI (0.48) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19143328 0.85 SLC7A5 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12730187 0.84 ALPI (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7952526 0.84 ALPI (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL24264724 0.83 ALPI (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19257248 0.83 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1436467 0.83 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12696353 0.83 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL2617113 0.83 SLC7A5 (0.73) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694516-B1 BIODEGRADABLE QUINOLONE ANTIBIOTICS LEUPHANA UNIV LUENEBURG STIFTUNG OEFFENTLICHEN RECHTS (DE) 2023-12-13 EP disclosed
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
WO-2023087270-A1 ENZYME IMMOBILIZATION CARRIER AND PREPATION METHOD THEREFOR, AND IMMOBILIZED ENZYME AND PREPARATION METHOD THEREFOR 辽宁凯莱英医药化学有限公司 2023-05-25 WO disclosed
WO-2023277574-A1 METHOD FOR PRODUCING URATE OXIDASE-ALBUMIN CONJUGATE USING BCN LINKER AND USE THEREOF 주식회사 프로앱텍 2023-01-05 WO disclosed
WO-2021216781-A1 AFMT ANALOGS AND THEIR USE IN METHODS OF TREATING PARKINSON'S DISEASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-10-28 WO disclosed
EP-3782614-A1 MUCO-ADHESIVE, CONTROLLED RELEASE FORMULATIONS OF LEVODOPA AND/OR ESTERS OF LEVODOPA AND USES THEREOF Impax Laboratories, LLC (US) 2021-02-24 EP disclosed
WO-2020018291-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM YAMO PHARMACEUTICALS LLC (US) 2020-01-23 WO disclosed
WO-2020018292-A1 COMPOSITIONS AND METHODS FOR TREATING AUTISM YAMO PHARMACEUTICALS LLC (US) 2020-01-23 WO disclosed
EP-2570414-B1 Heterocyclic aromatic compounds useful as growth hormone secretagogues BRISTOL MYERS SQUIBB CO (US) 2017-08-30 EP disclosed
WO-2007143557-A2 COMPOUNDS AND METHODS FOR TREATING MAMMALIAN GASTROINTESTINAL PARASITIC INFECTIONS BRANDEIS UNIVERSITY (US) 2007-12-13 WO disclosed
WO-2004067522-A1 AZAPHENYLALANINE DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS LEK PHARMACEUTICALS D.D. (SI) 2004-08-12 WO disclosed