SCHEMBL7218389

SCHEMBL7218389

CC(=N)NCCCC[C@H](N)C(=O)N[C@@H](CCCCN/C(C)=N/O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 4/20 0.46
FOLH1 Q04609 1/20 0.42
NRP1 O14786 5/20 0.41
DPP7 Q9UHL4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
FNTA P49354 2/20 0.38
FNTB P49356 2/20 0.38
PGGT1B P53609 1/20 0.38
NPY4R P50391 3/20 0.37
NPY1R P25929 2/20 0.37
NPY2R P49146 2/20 0.37
NPY5R Q15761 2/20 0.37
GNPAT O15228 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
SCHEMBL7218393 1.00 NOD1 (0.46) NOD1FOLH1NRP1DPP7SMN1; SMN2
SCHEMBL7227064 0.94 NOD1 (0.50) NOD1FOLH1NRP1DPP7SMN1; SMN2
SCHEMBL7227075 0.94 NOD1 (0.50) NOD1FOLH1NRP1DPP7SMN1; SMN2
SCHEMBL8201070 0.88 NOD1 (0.39) NOD1NRP1DPP7GNAI3GNAO1
SCHEMBL7225059 0.83 NOD1 (0.47) NOD1FOLH1NRP1SMN1; SMN2FNTA
SCHEMBL7225046 0.83 NOD1 (0.47) NOD1FOLH1NRP1SMN1; SMN2FNTA
SCHEMBL8821863 0.83 NOD1 (0.42) NOD1FOLH1NRP1DPP7SMN1; SMN2
SCHEMBL7221219 0.82 DPP7 (0.43) NOD1FOLH1NRP1DPP7GNAI3
SCHEMBL7221210 0.82 DPP7 (0.43) NOD1FOLH1NRP1DPP7GNAI3
SCHEMBL31074247 0.80 NOD1 (0.49) NOD1FOLH1NRP1DPP7GNAI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US claimed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP claimed
US-6576780-B1 Hydroxyamidino derivatives useful as nitric oxide synthase inhibitors GD SEARLE & COMPANY 2003-06-10 US disclosed
US-6207708-B1 FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, G. D. SEARLE & COMPANY 2001-03-27 US disclosed
EP-0885188-B1 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-09-27 EP disclosed