SCHEMBL6977560

SCHEMBL6977560

N#CCC(c1ccco1)C1CCCCC(=N)N1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 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
SCHEMBL6981063 0.89 ALDH1A1 (0.31) ALDH1A1POLB
SCHEMBL6978310 0.88 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL6978293 0.84 ALDH1A1 (0.39) ALDH1A1POLB
SCHEMBL6977392 0.81 ALDH1A1 (0.37) ALDH1A1POLB
SCHEMBL6977874 0.76 ALDH1A1 (0.43) ALDH1A1POLB
SCHEMBL12066241 0.76 ALDH1A1 (0.39) ALDH1A1POLB
SCHEMBL6966808 0.74 ALDH1A1 (0.35) ALDH1A1POLB
Trifluoroacetic Acid SCHEMBL6981240 0.74 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL6976352 0.69 ALDH1A1 (0.42) ALDH1A1POLB
SCHEMBL6969217 0.66 SLC6A2 (0.36)

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
US-5883251-A ENZYME INHIBITORS G. D. SEARLE & CO. (US) 1999-03-16 US 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
EP-0904565-A1 PHOTOTHERMOGRAPHIC RECORDING MATERIAL Agfa-Gevaert (BE) 1999-03-31 EP 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-1997048015-A1 PHOTOTHERMOGRAPHIC RECORDING MATERIAL AGFA-GEVAERT NAAMLOZE VENNOOTSCHAP (BE) 1997-12-18 WO disclosed
WO-1996033175-A1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-10-24 WO disclosed