SCHEMBL16738

SCHEMBL16738

c1ccc(CC2CNCCN2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
LTA4H P09960 1/20 0.56
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GBA1 P04062 2/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46

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
SCHEMBL17415 1.00 POLB (0.58) POLBLTA4HMEN1KMT2AGBA1
SCHEMBL3495180 1.00 POLB (0.58) POLBLTA4HMEN1KMT2AGBA1
SCHEMBL8201261 0.98 POLB (0.56) POLBLTA4HMEN1KMT2AGBA1
SCHEMBL29119634 0.98 POLB (0.56) POLBLTA4HMEN1KMT2AGBA1
Hydrochloric Acid SCHEMBL12078541 0.98 POLB (0.56) POLBLTA4HMEN1KMT2AGBA1
SCHEMBL8904123 0.98 POLB (0.56) POLBLTA4HMEN1KMT2AGBA1
Hydrochloric Acid SCHEMBL12078757 0.98 POLB (0.56) POLBLTA4HMEN1KMT2AGBA1
SCHEMBL30589117 0.98 POLB (0.56) POLBLTA4HMEN1KMT2AGBA1
SCHEMBL1005495 0.90 LTA4H (0.51) POLBLTA4HMEN1KMT2AGBA1
SCHEMBL9830874 0.89 POLB (0.64) POLBLTA4HMEN1KMT2AGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117164807-A Polyurethane-polyurea water dispersion and preparation method thereof 万华化学集团股份有限公司 2023-12-05 CN claimed
CN-105669970-B Polyamide-based expandable flame retardant carbon forming agent and its preparation method and application of the main chain containing piperazine structure 四川大学 2018-11-02 CN claimed
CN-105669970-A Polyamide intumescent flame-retardant char-forming agent having main chain containing piperazine structure and preparation method and application thereof 四川大学 2016-06-15 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
US-20140273458-A1 Chemical Mechanical Planarization for Tungsten-Containing Substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-18 US claimed
EP-2779217-A2 Chemical mechanical planarization for tungsten-containing substrates AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-09-17 EP claimed
CN-117487047-A Phosphonic acid functionalized polymer, multifunctional styrene polymer and application thereof 国家电投集团氢能科技发展有限公司 2024-02-02 CN disclosed
CN-117362485-A Hydroxymethyl functionalized vinyl polymers, multifunctional polymers and uses thereof 国家电投集团氢能科技发展有限公司 2024-01-09 CN disclosed
CN-117164807-A Polyurethane-polyurea water dispersion and preparation method thereof 万华化学集团股份有限公司 2023-12-05 CN disclosed
WO-2023030459-A1 QUINOLINONE AMIDE-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 中国科学院上海药物研究所 2023-03-09 WO disclosed
EP-4076344-A1 LOW-MOLECULAR GELLING AGENT AS FRAGRANT SUBSTANCE DISPENSING SYSTEM Henkel AG & Co. KGaA (DE) 2022-10-26 EP disclosed
US-11414764-B2 Method of inhibiting metal corrosion with a piperazine-based polyurea KING FAHD UNIVERSITY OF PETROLEUM AND MINERALS (SA) 2022-08-16 US disclosed
WO-2021122608-A1 LOW-MOLECULAR GELLING AGENT AS FRAGRANT SUBSTANCE DISPENSING SYSTEM HENKEL AG & CO. KGAA (DE) 2021-06-24 WO disclosed
WO-1990004917-A1 HETEROCYCLIC PEPTIDE RENIN INHIBITORS ABBOTT LABORATORIES (US) 1990-05-17 WO disclosed
EP-0365992-A1 Heterocyclic peptide renin inhibitors ABBOTT LABORATORIES (US) 1990-05-02 EP disclosed
US-4560755-A VASODILATOR, HYPOTENSOR ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-12-24 US disclosed
US-4525589-A Isoquinolinesulfonyl derivatives ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-06-25 US disclosed
EP-0061673-B1 ISOQUINOLINESULFONYL DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-24 EP disclosed
US-4456757-A MUSCLE RELAXANTS, VASODILATORS, HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1984-06-26 US disclosed
EP-0061673-A1 Isoquinolinesulfonyl derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-10-06 EP disclosed