SCHEMBL6972034

SCHEMBL6972034

COC(=O)c1ccccc1CCC1CCCCNC1=N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 7/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 2/20 0.38
RECQL P46063 1/20 0.37
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
POLB P06746 2/20 0.36
ATM Q13315 1/20 0.36
CRBN Q96SW2 1/20 0.36
HIF1A Q16665 1/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
GAA P10253 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL6980114 0.87 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL21180879 0.78 ALDH1A1 (0.57) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6977429 0.75 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6976255 0.75 ALDH1A1 (0.46) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6976257 0.71 ALDH1A1 (0.47) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL10360804 0.71 ALDH1A1 (0.77) ALDH1A1LMNAKDM4EHSD17B10TSHR
SCHEMBL6980909 0.70 STS (0.42) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL6974542 0.70 STS (0.42) ALDH1A1LMNAKDM4EHSD17B10HPGD
SCHEMBL7987100 0.70 LMNA (0.51) ALDH1A1LMNATSHRCRBNHIF1A
SCHEMBL19515023 0.70 ALDH1A1 (0.55) ALDH1A1LMNAKDM4EHSD17B10HPGD

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