SCHEMBL7798809

SCHEMBL7798809

COc1ccc(CN2C(=O)CC(C)C3C2C3(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.45
▸ HCRTR2 O43614 3/20 0.45
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CMA1 P23946 1/20 0.43
▸ BLM P54132 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GSK3B P49841 3/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ GRM2 Q14416 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL7798811 1.00 HCRTR1 (0.45) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL7920515 0.87 HCRTR1 (0.45) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL7920512 0.87 HCRTR1 (0.45) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL7798828 0.86 HCRTR1 (0.44) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL7798830 0.86 HCRTR1 (0.44) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL7794989 0.76 HCRTR1 (0.46) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL7794990 0.76 HCRTR1 (0.46) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL7524979 0.71 HCRTR1 (0.51) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL16876530 0.71 HCRTR1 (0.46) HCRTR1HCRTR2MEN1KMT2AALDH1A1
SCHEMBL16876533 0.71 HCRTR1 (0.46) HCRTR1HCRTR2MEN1KMT2AALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870763-B1 Condensed piperidine derivatives used as a nitrogen monoxide synthase inhibitors ONO PHARMACEUTICAL CO (JP) 2001-12-12 — — EP disclosed
US-6228866-B1 ADMINISTERING NITRIC OXIDE SYNTHASE INHIBITOR TO TREAT CANCER AND NERVOUS SYSTEM, BRAIN, KIDNEY, RESPIRATORY SYSTEM, AUTOIMMUNES, SKIN AND MUSCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD. (JP) 2001-05-08 — — US disclosed
US-6110930-A NITRIC OXIDE SYNTHASE INHIBITOR ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-29 — — US disclosed
EP-0870763-A1 Condensed piperidine derivatives used as a nitrogen monoxide synthase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 — — EP disclosed
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