SCHEMBL3833348

SCHEMBL3833348

CC(I)N1CCCC(Nc2ccc3cnccc3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 13/20 0.43
▸ ROCK1 Q13464 8/20 0.43
▸ KMT2A Q03164 1/20 0.41
▸ PRMT3 O60678 5/20 0.41
▸ CCR2 P41597 3/20 0.41
▸ GFER P55789 1/20 0.38

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
SCHEMBL3833703 0.85 ROCK2 (0.42) ROCK2ROCK1KMT2APRMT3CCR2
SCHEMBL3313256 0.84 PRMT3 (0.40) ROCK2ROCK1PRMT3
SCHEMBL3313248 0.84 PRMT3 (0.40) ROCK2ROCK1PRMT3
SCHEMBL3313669 0.82 ROCK2 (0.55) ROCK2ROCK1PRMT3CCR2
SCHEMBL3313905 0.82 ROCK2 (0.55) ROCK2ROCK1PRMT3CCR2
SCHEMBL3316815 0.81 IMPDH2 (0.42) ROCK2ROCK1PRMT3
SCHEMBL3312503 0.81 ROCK2 (0.67) ROCK2ROCK1CCR2
SCHEMBL3312498 0.81 ROCK2 (0.67) ROCK2ROCK1CCR2
SCHEMBL3313466 0.80 ROCK2 (0.50) ROCK2ROCK1PRMT3CCR2
SCHEMBL3313459 0.80 ROCK2 (0.50) ROCK2ROCK1PRMT3CCR2

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
EP-2114920-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES Sanofi-Aventis (FR) 2009-11-11 — — EP disclosed
WO-2008077552-A1 SUBSTITUTED ISOQUINOLINE AND ISOQUINOLINONE DERIVATIVES SANOFI-AVENTIS (FR) 2008-07-03 — — WO disclosed
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