SCHEMBL3821587

SCHEMBL3821587

O=C(O)C(=O)N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA9 Q16790 1/20 0.54
CHKA P35790 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
CHRNB3 Q05901 1/20 0.50
CHRNA6 Q15825 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.42
HSD11B1 P28845 1/20 0.42
RXFP1 Q9HBX9 1/20 0.38
EPHX2 P34913 1/20 0.38
HPGD P15428 1/20 0.36
HSP90AA1 P07900 1/20 0.36
ABCC1 P33527 1/20 0.36

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
SCHEMBL9396214 0.88 CA2 (0.59) CA2CA12CA1CA9CHKA
SCHEMBL4073463 0.81 CA2 (0.70) CA2CA12CA1CA9CHKA
SCHEMBL15319 0.80
SCHEMBL6961568 0.80
SCHEMBL17100538 0.80 CA2 (0.56) CA2CA12CA1CA9CHKA
SCHEMBL6985542 0.79 CA2 (0.50) CA2CA12CA1CA9CHKA
SCHEMBL3654736 0.79 CA2 (0.50) CA2CA12CA1CA9CHKA
Water SCHEMBL10607939 0.78 CA2 (0.54) CA2CA12CA1CA9CHKA
Ammonia Solution, Strong SCHEMBL4674734 0.78 CA2 (0.54) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL18116041 0.78 CA2 (0.54) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP claimed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 WO claimed
EP-4419505-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT 2A SEROTONIN RECEPTOR Arena Pharmaceuticals, Inc. (US) 2024-08-28 EP disclosed
EP-4236942-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2023-09-06 EP disclosed
WO-2023067520-A1 CRYSTALLINE FORMS AND PROCESSES FOR THE PREPARATION OF PYRIMIDINE DERIVATIVES USEFUL AS MODULATORS OF THE 5-HT 2A SEROTONIN RECEPTOR ARENA PHARMACEUTICALS, INC. (US) 2023-04-27 WO disclosed
WO-2022093850-A1 ISOXAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2022-05-05 WO disclosed
CN-110066270-A Multiamide class compound and the preparation method and application thereof 湖南化工研究院有限公司 2019-07-30 CN disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed