SCHEMBL7888149

SCHEMBL7888149

N=C(N)NCCC[C@H](N)C(=O)N(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
NPY4R P50391 7/20 0.35
NPY1R P25929 5/20 0.35
NPY2R P49146 4/20 0.35
NPY5R Q15761 4/20 0.35
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
Hydrochloric Acid SCHEMBL7876078 0.99 NOS1 (0.39) NOS1NOS3NOS2ANPEPRNPEP
SCHEMBL30553031 0.83 MAPT (0.38) NPY4RNPY1RALDH1A1
SCHEMBL9662910 0.82 PADI1 (0.42) ALDH1A1HTT
SCHEMBL5943119 0.82 PADI1 (0.42) ALDH1A1HTT
SCHEMBL9391207 0.81 DPP7 (0.43) NOS1NOS3NOS2
SCHEMBL7445644 0.80 NPY4R (0.35) ANPEPRNPEPDNPEPNPY4RNPY1R
SCHEMBL27342871 0.78 CYP1A2 (0.40) ANPEPALDH1A1
SCHEMBL7717724 0.78 ALDH1A1 (0.44) ALDH1A1
SCHEMBL22346178 0.78 ALDH1A1 (0.44) ALDH1A1
SCHEMBL7166055 0.78 ANPEP (0.36) NOS1NOS3NOS2ANPEPRNPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0802986-B1 METHODS OF DETERMINING ENDOGENOUS THROMBIN POTENTIAL (ETP) AND THROMBIN SUBSTRATES FOR USE IN SAID METHODS HEMKER HENDRIK COENRAAD (NL) 2001-09-19 EP disclosed
US-6207399-B1 USING A DIPEPTIDE THROMBIN SUBSTRATE OR SALT THAT IS SOLUBLE IN THE SAMPLE CONSISTING OF HEPARIN AND OTHER ANTICOAGULANTS, TO DETERMINE THE ENDOGENOUS THROMBIN POTENTIAL Hemker, Hendrik Coenraad (NL) 2001-03-27 US disclosed
EP-0802986-A1 METHODS OF DETERMINING ENDOGENOUS THROMBIN POTENTIAL (ETP) AND THROMBIN SUBSTRATES FOR USE IN SAID METHODS Hemker, Hendrik Coenraad (NL) 1997-10-29 EP disclosed
WO-1996021740-A1 METHODS OF DETERMINING ENDOGENOUS THROMBIN POTENTIAL (ETP) AND THROMBIN SUBSTRATES FOR USE IN SAID METHODS HEMKER HENDRIK COENRAAD (NL) 1996-07-18 WO disclosed