SCHEMBL5874068

SCHEMBL5874068

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 2/20 0.44
TACR1 P25103 3/20 0.41
ITGB1 P05556 2/20 0.41
ITGA4 P13612 1/20 0.41
PDF Q9HBH1 1/20 0.41
FKBP4 Q02790 1/20 0.40
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
F2 P00734 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
Acetic Acid SCHEMBL7018491 0.97 TACR1 (0.43) NTMT1TACR1ITGB1ITGA4PDF
SCHEMBL11418081 0.94 NTMT1 (0.47) NTMT1TACR1ITGB1ITGA4PDF
Hydrochloric Acid SCHEMBL11418091 0.93 NTMT1 (0.46) NTMT1TACR1ITGB1ITGA4PDF
Hydrochloric Acid SCHEMBL11425398 0.93 NTMT1 (0.46) NTMT1TACR1ITGB1ITGA4PDF
SCHEMBL11428022 0.92 TACR1 (0.42) NTMT1TACR1ITGB1ITGA4PDF
SCHEMBL29963840 0.90 TACR1 (0.40) NTMT1TACR1ITGB1ITGA4PDF
SCHEMBL5582769 0.88 NTMT1 (0.53) NTMT1TACR1ITGB1ITGA4PDF
SCHEMBL8502170 0.87 OPRM1 (0.42) TACR1ITGB1ITGA4PDFFKBP4
SCHEMBL497331 0.86 FKBP4 (0.43) NTMT1TACR1ITGB1ITGA4FKBP4
SCHEMBL5835132 0.86 FKBP4 (0.41) TACR1ITGB1ITGA4PDFFKBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114703167-B Improved coagulation compositions Q-塞拉有限公司 2024-11-19 CN disclosed
CN-114703167-A Improved blood clotting compositions Q-塞拉有限公司 2022-07-05 CN disclosed
CN-107106662-B Improved blood coagulation compositions Q-塞拉有限公司 2022-03-25 CN disclosed
WO-2021253067-A1 IMPROVED THROMBIN INHIBITORS FOR TREATMENT OF THROMBOEMBOLIC CONDITIONS THE UNIVERSITY OF SYDNEY (AU) 2021-12-23 WO disclosed
CN-113289009-A Long-acting coagulation factor and production method thereof OPKO生物科学有限公司 2021-08-24 CN disclosed
CN-108289851-B Long-acting coagulation factor and production method thereof OPKO生物科学有限公司 2021-06-01 CN disclosed
US-7070953-B1 Protein hydrolysates produced with the use of cod proteases NORDUR EHF (IS) 2006-07-04 US disclosed
EP-1227736-B1 PROTEIN HYDROLYSATES PRODUCED WITH THE USE OF MARINE PROTEASES NORDUR EHF (IS) 2004-01-07 EP disclosed
EP-0632829-A1 THROMBIN RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 1995-01-11 EP disclosed
WO-1993018141-A1 THROMBIN RECEPTOR ANTAGONISTS BIOGEN, INC. (US) 1993-09-16 WO disclosed
US-4221706-A B-ALANYL OR G-AMINOBUTYRYL-PROLYL-ARGINYL-P-NITROANILIDE, FOR QUANTITATIVE MEASUREMENT OF PROTEOLYTIC ENZYMES ABBOTT LABORATORIES (US) 1980-09-09 US disclosed
US-4216142-A Chromogenic substrates for the proteolytic enzymes ABBOTT LABORATORIES (US) 1980-08-05 US disclosed