SCHEMBL9025939

SCHEMBL9025939

CC(C)(C)OC(=O)n1cc(CCC(N)C#N)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
EPHX1 P07099 1/20 0.53
PDE10A Q9Y233 1/20 0.47
HTR6 P50406 1/20 0.46
ADAM17 P78536 1/20 0.43
ACHE P22303 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PIM1 P11309 1/20 0.39
MARK3 P27448 1/20 0.39
MAP4K2 Q12851 1/20 0.39
CAMK2B Q13554 1/20 0.39
PIM3 Q86V86 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL3132751 0.83 L3MBTL1 (0.61) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL7505969 0.81 L3MBTL1 (0.65) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL29992401 0.81 L3MBTL1 (0.65) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL9026259 0.81 L3MBTL1 (0.49) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL273000 0.80 L3MBTL1 (0.63) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL22013138 0.80 L3MBTL1 (0.63) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL22651784 0.80 L3MBTL1 (0.70) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL30721514 0.80 L3MBTL1 (0.66) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL4109142 0.80 L3MBTL1 (0.66) L3MBTL1EPHX1PDE10AHTR6ADAM17
SCHEMBL4892277 0.79 L3MBTL1 (0.65) L3MBTL1EPHX1PDE10AHTR6ADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
CN-1024797-C Indole derivatives OTSUKA CHEMICAL CO LTD (JP) 1994-06-01 CN disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
CN-1049155-A INDOLE DERIVATIVES OTSUKA CHEMICAL CO LTD (JP) 1991-02-13 CN disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed