SCHEMBL19860077

SCHEMBL19860077

Nc1ccccc1CCC(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.56
NOTUM Q6P988 4/20 0.55
PRMT3 O60678 2/20 0.54
ROCK2 O75116 8/20 0.53
ROCK1 Q13464 3/20 0.53

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
SCHEMBL19860090 0.86 ROCK2 (0.57) IMPDH2NOTUMPRMT3ROCK2ROCK1
SCHEMBL21430054 0.83 IMPDH2 (0.62) IMPDH2NOTUMPRMT3ROCK2ROCK1
SCHEMBL3566775 0.83 PRMT3 (0.72) IMPDH2NOTUMPRMT3ROCK2ROCK1
SCHEMBL2164137 0.81 PRMT3 (0.69) IMPDH2NOTUMPRMT3ROCK2ROCK1
SCHEMBL4524018 0.80 LMNA (0.55) NOTUMROCK2ROCK1
SCHEMBL14124306 0.79 PRMT3 (0.66) IMPDH2NOTUMPRMT3ROCK2ROCK1
SCHEMBL16634909 0.78 PRMT3 (0.61) IMPDH2NOTUMPRMT3
SCHEMBL12201759 0.78 IMPDH2 (0.61) IMPDH2NOTUMPRMT3ROCK2ROCK1
SCHEMBL20353549 0.78 IMPDH2 (0.61) IMPDH2NOTUMPRMT3ROCK2ROCK1
Hydrochloric Acid SCHEMBL3564762 0.77 IMPDH2 (0.59) IMPDH2NOTUMPRMT3ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed