SCHEMBL7883263

SCHEMBL7883263

CCOc1c(N)ccc(C)c1CNC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4A O75164 1/20 0.38
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA12 O43570 6/20 0.38
CA9 Q16790 6/20 0.38
MAPKAPK2 P49137 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
NAMPT P43490 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7878669 0.88 POLB (0.41) HDAC1L3MBTL1KDM4ACA1CA2
SCHEMBL7880088 0.81 SMN1; SMN2 (0.38) L3MBTL1KDM4ACA1CA2CA12
SCHEMBL7876697 0.80 HDAC1 (0.39) HDAC1L3MBTL1KDM4ACA1CA2
SCHEMBL19716899 0.79 HDAC1 (0.44) HDAC1L3MBTL1KDM4ACA1CA2
SCHEMBL31432271 0.74 HDAC1 (0.46) HDAC1L3MBTL1KDM4ACA1CA2
SCHEMBL31432272 0.74 HDAC1 (0.46) HDAC1L3MBTL1KDM4ACA1CA2
SCHEMBL31431173 0.73 HDAC1 (0.47) HDAC1L3MBTL1KDM4ACA1CA2
SCHEMBL4623415 0.73 HDAC1 (0.42) HDAC1L3MBTL1KDM4ACA1CA2
SCHEMBL27530730 0.72 POLB (0.41) HDAC1L3MBTL1KDM4ACA1CA2
SCHEMBL7883261 0.72 MAPT (0.34) L3MBTL1KDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed