SCHEMBL6970982

SCHEMBL6970982

CS(=O)(=O)NCC(c1ccccc1)C1CCCCC(=N)N1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SLC6A3 Q01959 6/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 0.34
DHFR P00374 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
KDM1A O60341 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6976764 0.78 MEN1 (0.46) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL6969217 0.77 SLC6A2 (0.36) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL6978415 0.75 CNR1 (0.41) MEN1KMT2ASLC6A3SLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL6979873 0.71 MEN1 (0.37) MEN1KMT2ASLC6A3SLC6A2SLC6A4
SCHEMBL6979715 0.70 ALDH1A1 (0.36) MEN1KMT2ASLC6A3TAAR1KDM1A
SCHEMBL6968848 0.70 SLC6A3 (0.36) SLC6A3SLC6A2SLC6A4
SCHEMBL6979259 0.69 GAA (0.36) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL6974041 0.68 SLC6A3 (0.35) KMT2ASLC6A3SLC6A2SLC6A4DHFR
SCHEMBL6969450 0.67 MEN1 (0.38) MEN1KMT2ASLC6A3SLC6A2SLC6A4
(2-Nitrovinyl)Benzene SCHEMBL8152119 0.67 FBP1 (0.42) MEN1KMT2AALDH1A1LMNA

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 10 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-6043261-A TREATMENT OF INFLAMMATORY CONDITIONS AFFECTING THE JOINTS, FOR EXAMPLE ARTHRITIS, INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA, CEREBRAL ISCHEMIA, THROMBOTIC STROKE, GLOBAL ISCHEMIA, NERVOUS SYSTEM DISORDERS G. D. SEARLE & CO. (US) 2000-03-28 US disclosed
US-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 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