SCHEMBL6970182

SCHEMBL6970182

N=C1CCCCC(C(c2ccccc2)C(N)C(=O)O)N1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A4 P31645 4/20 0.39
DHFR P00374 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 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
SCHEMBL6965143 0.84 SLC1A3 (0.36) ALDH1A1TSHRSLC1A3SLC1A2SLC1A1
SCHEMBL6979259 0.83 GAA (0.36) SLC6A3SLC6A2SLC6A4DHFRLMNA
Trifluoroacetic Acid SCHEMBL6979209 0.81 DPP4 (0.43) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL6974041 0.76 SLC6A3 (0.35) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL7261616 0.74 MEN1 (0.47) LMNASLC1A3SLC1A2SLC1A1
Trifluoroacetic Acid SCHEMBL6973149 0.74 DPP4 (0.36) SLC6A3SLC6A2SLC6A4DHFRLMNA
SCHEMBL6969217 0.73 SLC6A2 (0.36) SLC6A3SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL6979873 0.72 MEN1 (0.37) SLC6A3SLC6A2SLC6A4ALDH1A1
SCHEMBL7262096 0.71 MEN1 (0.43) LMNASLC1A3SLC1A2SLC1A1
SCHEMBL6976764 0.69 MEN1 (0.46) SLC6A3SLC6A2SLC6A4DHFRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US claimed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP claimed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO claimed
EP-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
EP-0821674-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1998-02-04 EP disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed