SCHEMBL6346261

SCHEMBL6346261

NC1C(=O)CCc2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 6/20 0.68
HTR2A P28223 2/20 0.54
RET P07949 1/20 0.48
ACP3 P15309 1/20 0.46
IDO1 P14902 2/20 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
SCHEMBL29633441 1.00 ANPEP (0.68) ANPEPHTR2ARETACP3IDO1
SCHEMBL113822 0.84 HTR2A (0.73) ANPEPHTR2ARETACP3IDO1
SCHEMBL31165889 0.84 HTR2A (0.73) ANPEPHTR2ARETACP3IDO1
SCHEMBL28518727 0.81 ANPEP (1.00) ANPEPHTR2A
SCHEMBL18999729 0.81 ANPEP (1.00) ANPEPHTR2A
SCHEMBL9385590 0.78 ACP3 (0.48) ANPEPHTR2ARETACP3IDO1
SCHEMBL10581227 0.77 CA1 (0.46) ANPEPHTR2ARETACP3IDO1
SCHEMBL10642897 0.77 HTR2A (0.56) ANPEPHTR2ARETACP3IDO1
SCHEMBL7124003 0.77 ACP3 (0.47) ANPEPHTR2ARETACP3IDO1
SCHEMBL8901794 0.77 ACP3 (0.47) ANPEPHTR2ARETACP3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021038889-A1 METHOD FOR PRODUCING HETEROCYCLIDENE ACETAMIDE DERIVATIVE 持田製薬株式会社 2021-03-04 WO disclosed
EP-2752410-B1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO (JP) 2016-08-31 EP disclosed
EP-2952503-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2015-12-09 EP disclosed
WO-2015156421-A1 DIHYDROTHIAZINE AND DIHYDROOXAZINE DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2015-10-15 WO disclosed
EP-2772480-A1 HIV REPLICATION INHIBITOR Shionogi & Co., Ltd. (JP) 2014-09-03 EP disclosed
EP-2752410-A1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY Shionogi & Co., Ltd. (JP) 2014-07-09 EP disclosed
WO-2013001830-A1 NUCLEOSIDE ANTIBIOTIC DERIVATIVE 国立大学法人北海道大学 (JP) 2013-01-03 WO disclosed
US-6844368-B1 Compounds useful in pain management ASTRAZENECA CANADA INC. (CA) 2005-01-18 US disclosed
EP-1140790-A1 NOVEL OXO-AMINOTETRALIN COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-10-10 EP disclosed
EP-1140790-A1 NOVEL OXO-AMINOTETRALIN COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-10-10 EP disclosed
WO-2000037426-A1 NOVEL OXO-AMINOTETRALIN COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 2000-06-29 WO disclosed
WO-2000037426-A1 NOVEL OXO-AMINOTETRALIN COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 2000-06-29 WO disclosed
US-5196454-A METHOD OF TREATING DISORDERS OF THE DOPAMINERGIC SYSTEMS USING 2,5-DIAMINOTETRALINES BOEHRINGER INGELHEIM KG (DE) 1993-03-23 US disclosed
US-3970650-A DRUG INTERMEDIATE A. CHRISTIAENS SOCIETE ANONYME (BE) 1976-07-20 US disclosed