SCHEMBL7224728

SCHEMBL7224728

C/C(=N\O)N[C@@H](CCCCNCOC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 16/20 0.43
CD274 Q9NZQ7 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
C3AR1 Q16581 1/20 0.37

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
SCHEMBL7908736 0.83 FOLH1 (0.41) FOLH1SIRT2SIRT1C3AR1
SCHEMBL7908742 0.83 FOLH1 (0.41) FOLH1SIRT2SIRT1C3AR1
SCHEMBL7219493 0.82 FOLH1 (0.43) FOLH1CD274
SCHEMBL7220594 0.80 FOLH1 (0.41) FOLH1
SCHEMBL7218185 0.80 FOLH1 (0.39) FOLH1CD274SIRT2SIRT1
SCHEMBL7224733 0.78 TDP1 (0.36) TDP1
SCHEMBL7908794 0.74 C3AR1 (0.41) FOLH1C3AR1
SCHEMBL27675504 0.73 NAAA (0.56) TDP1
SCHEMBL7225509 0.72 MMP2 (0.44) FOLH1C3AR1
SCHEMBL7225506 0.72 MMP2 (0.44) FOLH1C3AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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