SCHEMBL350197

SCHEMBL350197

CCCNC(CCCNC(=N)N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 5/20 0.41
GGT1 P19440 1/20 0.37
C3AR1 Q16581 1/20 0.37
TLR2 O60603 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
FOLH1 Q04609 5/20 0.35
DPP7 Q9UHL4 1/20 0.35
ALOX15 P16050 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34

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
SCHEMBL350198 1.00 NOD1 (0.41) NOD1GGT1C3AR1TLR2MEN1
Hydrochloric Acid SCHEMBL26096762 0.98 NOD1 (0.40) NOD1GGT1C3AR1TLR2MEN1
SCHEMBL6429710 0.92 NOD1 (0.49) NOD1GGT1C3AR1TLR2FOLH1
SCHEMBL1343491 0.92 NOD1 (0.49) NOD1GGT1C3AR1TLR2FOLH1
Benzene SCHEMBL28171540 0.92 C3AR1 (0.38) NOD1GGT1C3AR1TLR2ITGB3
SCHEMBL5983126 0.91 NOD1 (0.51) NOD1TLR2ITGB3ITGA2BFOLH1
SCHEMBL5983133 0.91 NOD1 (0.51) NOD1TLR2ITGB3ITGA2BFOLH1
SCHEMBL25334014 0.90 NOD1 (0.53) NOD1TLR2FOLH1DPP7FNTA
SCHEMBL7029222 0.90 NOD1 (0.53) NOD1TLR2FOLH1DPP7FNTA
SCHEMBL8664762 0.90 NOD1 (0.53) NOD1TLR2FOLH1DPP7FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922454-B1 Arginine antagonists for inhibition of systemic hypotension associated with nitric oxide production or endothelial derived relaxing factor UNIV TEXAS (US) 2005-11-16 EP claimed
EP-0592557-B1 NITRIC OXIDE SYNTHESIS INHIBITORS FOR POTENTIATING THE ACTION OF PRESSOR AGENTS IN CERTAIN HYPOTENSIVE PATIENTS UNIV TEXAS (US) 2000-02-02 EP claimed
EP-0922454-A2 Arginine antagonists for inhibition of systemic hypotension associated with nitric oxide production or endothelial derived relaxing factor Board of Regents, The University of Texas System (US) 1999-06-16 EP claimed
EP-0597831-B1 ARGININE ANTAGONISTS FOR INHIBITION OF SYSTEMIC HYPOTENSION ASSOCIATED WITH NITRIC OXIDE PRODUCTION OR ENDOTHELIAL DERIVED RELAXING FACTOR UNIV TEXAS (US) 1999-01-20 EP claimed
WO-1995015753-A1 OVULATION CONTROL BY REGULATING NITRIC OXIDE LEVELS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-06-15 WO claimed
EP-3210998-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2017-08-30 EP disclosed
EP-2314609-B1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-11-30 EP disclosed
EP-2113513-B1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL (JP) 2016-05-18 EP disclosed
EP-2081955-B1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-05-06 EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 US disclosed
EP-1577323-B1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-07-10 EP disclosed
EP-0649303-A4 SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF. CORNELL RES FOUNDATION INC (US) 1995-07-05 EP disclosed
WO-1995015753-A1 OVULATION CONTROL BY REGULATING NITRIC OXIDE LEVELS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-06-15 WO disclosed
EP-0649303-A1 SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF CORNELL RESEARCH FOUNDATION, INC. (US) 1995-04-26 EP disclosed
WO-1993024126-A1 SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF CORNELL RESEARCH FOUNDATION, INC. (US) 1993-12-09 WO disclosed
EP-0346460-B1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION (IT) 1993-03-10 EP disclosed
US-5110798-A Immunomodulators for bone marrow transplants CO PHARMA CORPORATION S.R.L. (IT) 1992-05-05 US disclosed
EP-0346460-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION. CO PHARMA CORP SRL (IT) 1989-12-20 EP disclosed
WO-1989005818-A1 PURINE DERIVATIVES HAVING PHARMACOLOGICAL ACTION CO PHARMA CORPORATION S.R.L. (IT) 1989-06-29 WO disclosed