SCHEMBL28752

SCHEMBL28752

O=C(c1ccco1)N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
NPSR1 Q6W5P4 3/20 0.66
HTT P42858 1/20 0.66
MAPK1 P28482 1/20 0.64
TSHR P16473 2/20 0.60
CHRNB2 P17787 2/20 0.60
CHRNB4 P30926 2/20 0.60
CHRNA3 P32297 2/20 0.60
CHRNA7 P36544 2/20 0.60
CHRNA4 P43681 2/20 0.60
LMNA P02545 2/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
GAA P10253 1/20 0.59
PKM P14618 1/20 0.59
MAPT P10636 1/20 0.58
CYP1A2 P05177 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.57

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
Hydrochloric Acid SCHEMBL5204102 0.98 ALDH1A1 (0.64) ALDH1A1NPSR1HTTMAPK1TSHR
Bromide SCHEMBL27304432 0.98 ALDH1A1 (0.64) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL7663518 0.94 MAPK1 (0.66) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL16026437 0.87 ALDH1A1 (0.83) ALDH1A1NPSR1HTTMAPK1TSHR
Cyclooctanamine SCHEMBL7485129 0.86 SMN1; SMN2 (0.59) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL28325613 0.84 MAPT (0.49) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL6558888 0.83 CES2 (0.53) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL7482357 0.83 ALDH1A1 (0.71) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL61103 0.82 ALDH1A1 (0.87) ALDH1A1NPSR1HTTMAPK1TSHR
SCHEMBL4748498 0.82 ALDH1A1 (0.87) ALDH1A1NPSR1HTTMAPK1TSHR

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 836 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118272-A Easy-to-decontaminate Polyurethane (PU) composite film fabric and preparation method thereof 吴江新南华纺织整理科技有限公司 2025-06-10 CN claimed
CN-116102524-B Asymmetric synthesis method of beta-amino alcohol compound 华东理工大学 2024-10-01 CN claimed
CN-118684644-A Eupatilin derivative containing piperazine structure and preparation method and application thereof 南阳医学高等专科学校 2024-09-24 CN claimed
CN-117624140-A CXCR4 antagonists, methods of making and uses thereof 杭州师范大学 2024-03-01 CN claimed
CN-117321150-A Corrosion inhibiting coating composition PRC-迪索托国际公司 2023-12-29 CN claimed
CN-114806414-B Silicon polishing composition, preparation method and application thereof 万华化学集团电子材料有限公司 2023-07-11 CN claimed
CN-114806414-A Silicon polishing composition, preparation method and application thereof 万华化学集团电子材料有限公司 2022-07-29 CN claimed
CN-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN claimed
CN-103728294-B Bisbenzimidazole connection carbazole compound is for specific binding nucleic acid G-tetra-chain body structures and in the application of antineoplastic INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-05-11 CN claimed
CN-105330666-A Novel tryptanthrin derivative, synthetic method and medicinal application thereof UNIV NORTHWESTERN 2016-02-17 CN claimed
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 EP claimed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 WO claimed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP claimed
EP-0083315-B1 PYRIDYL-N-OXIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1987-07-29 EP claimed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO claimed
EP-0200024-A2 3-Cyano-pyridines, process for their preparation and their pharmaceutical use ARZNEIMITTELWERK DRESDEN GmbH (DE) 1986-11-05 EP claimed
US-4497808-A N-Oxide compounds useful in the treatment of cardiovascular ailments CIBA-GEIGY CORPORATION (US) 1985-02-05 US claimed
EP-0111455-A2 Unsaturated lactones CIBA-GEIGY AG (CH) 1984-06-20 EP claimed
EP-0111453-A1 Amide derivatives CIBA-GEIGY AG (CH) 1984-06-20 EP claimed
EP-0083315-A2 Pyridyl-N-oxides, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-07-06 EP claimed