SCHEMBL13764335

SCHEMBL13764335

N[C@@H](C(=O)Nc1ccc2cnccc2c1)C1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 0.60
ROCK1 Q13464 3/20 0.60
PRMT3 O60678 6/20 0.58
IMPDH2 P12268 1/20 0.51
MYLK4 Q86YV6 1/20 0.51

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
SCHEMBL13764333 0.99 ROCK2 (0.61) ROCK2ROCK1PRMT3IMPDH2MYLK4
SCHEMBL1123677 0.95 ROCK2 (0.54) ROCK2ROCK1PRMT3
SCHEMBL14562668 0.95 ROCK2 (0.54) ROCK2ROCK1PRMT3
SCHEMBL1123536 0.94 ROCK2 (0.55) ROCK2ROCK1PRMT3
SCHEMBL14562581 0.94 ROCK2 (0.55) ROCK2ROCK1PRMT3
Hydrochloric Acid SCHEMBL1096178 0.89 PRMT3 (0.49) ROCK2ROCK1PRMT3IMPDH2
SCHEMBL14562791 0.87 PRMT3 (0.52) ROCK2ROCK1PRMT3IMPDH2
SCHEMBL1124261 0.87 PRMT3 (0.52) ROCK2ROCK1PRMT3IMPDH2
SCHEMBL30846657 0.85 PRMT3 (0.56) ROCK2ROCK1PRMT3IMPDH2
SCHEMBL1124139 0.85 PRMT3 (0.51) ROCK2ROCK1PRMT3IMPDH2

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-2546239-B1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS INC (US) 2015-04-08 EP disclosed
US-8871757-B2 6-and 7-amino isoquinoline compounds and methods for making and using the same AERIE PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
EP-2546238-A1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
EP-2546239-A1 6-AMINO ISOQUINOLINS COMPOUNDS AND METHODS FOR MAKING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2013-01-16 EP disclosed
WO-2009091898-A2 6-AND 7-AMINO ISOQUINOLINE COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME AERIE PHARMACEUTICALS, INC. (US) 2009-07-23 WO disclosed