SCHEMBL7225608

SCHEMBL7225608

C/C(=N/Sc1ccccc1)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ FOLH1 Q04609 1/20 0.44
▸ TLR2 O60603 2/20 0.43
▸ ERAP2 Q6P179 2/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ SLC6A5 Q9Y345 1/20 0.41
▸ GNPAT O15228 1/20 0.40
▸ CPB2 Q96IY4 2/20 0.40
▸ CPB1 P15086 1/20 0.40
▸ C3AR1 Q16581 1/20 0.40
▸ CPA1 P15085 1/20 0.39
▸ CPA2 P48052 1/20 0.39
▸ CPA4 Q9UI42 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ SLC15A2 Q16348 1/20 0.39
▸ PYGL P06737 1/20 0.39

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
SCHEMBL7225611 1.00 MMP2 (0.45) MMP2MMP9FOLH1TLR2ERAP2
SCHEMBL7909581 0.80 FOLH1 (0.51) MMP2MMP9FOLH1CA1CA2
SCHEMBL7909582 0.80 FOLH1 (0.51) MMP2MMP9FOLH1CA1CA2
SCHEMBL7172374 0.76 FOLH1 (0.57) MMP2MMP9FOLH1CA1CA2
SCHEMBL7172377 0.76 FOLH1 (0.57) MMP2MMP9FOLH1CA1CA2
SCHEMBL7225509 0.76 MMP2 (0.44) MMP2MMP9FOLH1ERAP2LNPEP
SCHEMBL7225506 0.76 MMP2 (0.44) MMP2MMP9FOLH1ERAP2LNPEP
Hydrochloric Acid SCHEMBL8709522 0.75 FOLH1 (0.55) MMP2MMP9FOLH1CA1CA2
SCHEMBL8821849 0.74 MMP2 (0.44) MMP2MMP9FOLH1TLR2CA1
Biphenyl SCHEMBL27545468 0.73 GNPAT (0.56) MMP2MMP9FOLH1ERAP2LNPEP

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
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
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS — 1997-12-24 — — WO disclosed
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