SCHEMBL7229227

SCHEMBL7229227

c1coc([C]2NCCO2)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
LTA4H P09960 1/20 0.33
GRM5 P41594 1/20 0.30

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
SCHEMBL17925880 0.74 FABP6 (0.34) HPGDSADRA1DADRA1AADRA1B
SCHEMBL29019362 0.71 NOTUM (0.38)
SCHEMBL17468569 0.70 HPGDS (0.37) HPGDSADRA1DADRA1AADRA1BLTA4H
SCHEMBL100765 0.69 HPGDS (0.46) HPGDSADRA1DADRA1AADRA1BLTA4H
SCHEMBL6911489 0.68 GRM5 (0.33) ADRA1DADRA1AADRA1BGRM5
SCHEMBL17982505 0.68 MMP12 (0.33) HPGDSADRA1DADRA1AADRA1BLTA4H
SCHEMBL6909709 0.64 NISCH (0.46) ADRA1DADRA1AADRA1B
SCHEMBL1920363 0.64 LTA4H (0.36) HPGDSADRA1DADRA1AADRA1BLTA4H
SCHEMBL7367387 0.63 CHRM1 (0.33)
SCHEMBL28596689 0.63 NISCH (0.46) ADRA1DADRA1AADRA1BGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100586945-C Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA NV 2010-02-03 CN claimed
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 CN claimed
CN-1726207-A Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA NV (BE) 2006-01-25 CN claimed
CN-1290250-A Sulfonylamino derivatives which inhibit matrix-degrading metallopr teinases NOVARTIS AG (CH) 2001-04-04 CN claimed
CN-117377673-A HPK1 antagonists and uses thereof 林伯士萨顿公司 2024-01-09 CN disclosed
CN-109195974-A Isothiazolopyridinones, method for the production thereof and use thereof as herbicides and/or plant growth regulators 拜耳作物科学股份公司 2019-01-11 CN disclosed
CN-102143961-A Benzoxazines, benzothiazines, and related compounds having NOS inhibitory activity NEURAXON INC 2011-08-03 CN disclosed
CN-101754963-A spirocyclopropyl piperidine derivatives ASTRAZENECA AB 2010-06-23 CN disclosed
CN-100586945-C Substituted 1-piperidin-4-yl-4-pyrrolidin-3-yl-piperazine derivatives and their use as neurokinin antagonists JANSSEN PHARMACEUTICA NV 2010-02-03 CN disclosed
CN-101534828-A Allosteric modulators of the A1 adenosine receptor KING PHARMACEUTICALS RES & DEV (US) 2009-09-16 CN disclosed
CN-100384834-C Epothilone derivatives BRISTOL MYERS SQUIBB CO (US) 2008-04-30 CN disclosed
CN-101090723-A Piperazine urea derivatives for the treatment of endometriosis SCHERING AG (DE) 2007-12-19 CN disclosed
CN-1290250-A Sulfonylamino derivatives which inhibit matrix-degrading metallopr teinases NOVARTIS AG (CH) 2001-04-04 CN disclosed
CN-1262272-A HIV proteinase inhibitor AGOURON PHARMA (US) 2000-08-09 CN disclosed
CN-1253548-A HIV protease inhibitors AGOURON PHARMA (US) 2000-05-17 CN disclosed
CN-1252799-A N-heterocyclic derivatives as NOS inhibitor BERLEX LAB (US) 2000-05-10 CN disclosed
CN-1046269-C HIV protease inhibitors AGOURON PHARMA (US) 1999-11-10 CN disclosed
CN-1131942-A HIV protease inhibitors AGOURON PHARMACEUTICALS INS (US) 1996-09-25 CN disclosed
CN-1097192-A Retroviral protease inhibitors AMERICAN CYANAMID CO (US) 1995-01-11 CN disclosed
CN-1071917-A Quinazoline derivant as human immunodeficiency virus reversed transcriptive enzyme antagonist MERCK & CO INC (US) 1993-05-12 CN disclosed