SCHEMBL1100531

SCHEMBL1100531

Cc1ccc(NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDF Q9HBH1 1/20 0.49
NTMT1 Q9BV86 2/20 0.48
SSTR3 P32745 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
F2 P00734 2/20 0.42
TACR1 P25103 1/20 0.42
KLKB1 P03952 1/20 0.41
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
PLG P00747 1/20 0.40
ACE P12821 2/20 0.40
FKBP4 Q02790 1/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL29427848 0.90 PDF (0.46) PDFNTMT1SSTR3F2TACR1
SCHEMBL263537 0.90 PDF (0.46) PDFNTMT1SSTR3F2TACR1
SCHEMBL5582769 0.89 NTMT1 (0.53) PDFNTMT1SSTR3HDAC3HDAC1
Acetic Acid SCHEMBL16234756 0.89 PDF (0.44) PDFNTMT1SSTR3HDAC3HDAC1
SCHEMBL11417445 0.88 NTMT1 (0.55) PDFNTMT1SSTR3HDAC3HDAC1
SCHEMBL11423847 0.85 NTMT1 (0.51) PDFNTMT1SSTR3HDAC3HDAC1
Hydrochloric Acid SCHEMBL29388894 0.80 ITGB1 (0.45) F2ITGB1
SCHEMBL1498278 0.80 F2 (0.42) NTMT1F2TACR1ITGB1ITGA4
Hydrochloric Acid SCHEMBL11528157 0.80 F2 (0.42) NTMT1F2TACR1ITGB1ITGA4
SCHEMBL11428022 0.79 TACR1 (0.42) PDFNTMT1HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153413-B2 High alkaline protease and use thereof JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECHNOLOGY (JP) 2012-04-10 US disclosed
US-20110045570-A1 NOVEL HIGH ALKALINE PROTEASE AND USE THEREOF JAPAN AGENCY FOR MARINE-EARTH SCIENCE AND TECH. (JP) 2011-02-24 US disclosed
WO-2006086609-A2 INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-08-17 WO disclosed
WO-2006044133-A1 ACTIVE KETONE INHIBITORS OF TRYPTASE AXYS PHARMACEUTICALS, INC. (US) 2006-04-27 WO disclosed
US-6211228-B1 COMPOUNDS WITH AMINO, GUANIDINO AND AMIDINO HETEROCYCLIC COMPOUNDS AXYS PHARMACEUTICALS, INC 2001-04-03 US disclosed
US-6022969-A Compositions and methods for treating mast-cell mediated conditions AXYS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
EP-0782571-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1997-07-09 EP disclosed
WO-1996009297-A1 COMPOSITIONS AND METHODS FOR TREATING MAST-CELL INFLAMMATORY CONDITION ARRIS PHARMACEUTICAL CORPORATION (US) 1996-03-28 WO disclosed