SCHEMBL6973628

SCHEMBL6973628

COC(=O)c1ccccc1C=CC1CCCCC(=N)N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.42
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
BACE1 P56817 1/20 0.40
TSHR P16473 3/20 0.37
RECQL P46063 1/20 0.37
ABCB1 P08183 1/20 0.36
CRBN Q96SW2 2/20 0.36
DDB1 Q16531 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
RIPK1 Q13546 1/20 0.34
CFTR P13569 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
SCHEMBL6976319 1.00 STS (0.42) STSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6976637 0.90 STS (0.43) STSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6976647 0.90 STS (0.43) STSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6976632 0.90 STS (0.43) STSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6980909 0.75 STS (0.42) STSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6974542 0.75 STS (0.42) STSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6982058 0.74 ALDH1A1 (0.43) STSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL4550591 0.74 BACE1 (0.40) STSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6982060 0.74 ALDH1A1 (0.43) STSKDM4EALDH1A1HSD17B10HPGD
SCHEMBL6982055 0.74 ALDH1A1 (0.43) STSKDM4EALDH1A1HSD17B10HPGD

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
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