SCHEMBL6972617

SCHEMBL6972617

COC(=O)c1cc(N)ccc1/C=C/CC1CCCCC(=N)N1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.35
OPRK1 P41145 1/20 0.34
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
HSD17B10 Q99714 3/20 0.32
MAPT P10636 2/20 0.32
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ABCB1 P08183 1/20 0.30
CRBN Q96SW2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
EPHX1 P07099 1/20 0.30
YAP1 P46937 1/20 0.30

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
SCHEMBL6972621 1.00 GAA (0.35) GAAOPRK1ALDH1A1KDM4EHSD17B10
SCHEMBL6969803 0.88 KDM4E (0.38) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6969805 0.88 KDM4E (0.38) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6972070 0.85 HTT (0.39) OPRK1ALDH1A1KDM4EMAPTPRMT5
SCHEMBL6967285 0.77 POLB (0.36) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6969826 0.76 RAB9A (0.41) ALDH1A1KDM4EHSD17B10MAPTTSHR
SCHEMBL6980004 0.76 PARP1 (0.36) ALDH1A1KDM4ETSHRHPGD
SCHEMBL6980007 0.76 PARP1 (0.36) ALDH1A1KDM4ETSHRHPGD
SCHEMBL6964670 0.76 RAB9A (0.41) ALDH1A1KDM4EHSD17B10MAPTTSHR
SCHEMBL6978294 0.74 ALDH1A1 (0.41) OPRK1ALDH1A1KDM4EMAPTPRMT5

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 9 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
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