SCHEMBL15639809

SCHEMBL15639809

O=C(O)N1CCC(Nc2cccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 20/20 0.66
▸ ROCK1 Q13464 12/20 0.66

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
SCHEMBL15639810 0.89 ROCK2 (0.84) ROCK2ROCK1
SCHEMBL15639963 0.89 ROCK2 (0.62) ROCK2ROCK1
SCHEMBL17041185 0.80 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL32670276 0.80 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL15639798 0.80 ROCK2 (0.73) ROCK2ROCK1
SCHEMBL23359399 0.79 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL17040532 0.79 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL30599032 0.79 ROCK2 (1.00) ROCK2ROCK1
Hydrochloric Acid SCHEMBL15639309 0.79 ROCK2 (0.98) ROCK2ROCK1
Hydrochloric Acid SCHEMBL29575526 0.79 ROCK2 (0.98) ROCK2ROCK1

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
WO-2015157556-A1 TREATMENT OF GVHD KADMON CORPORATION, LLC (US) 2015-10-15 — — WO disclosed
EP-2903645-A2 TREATMENT OF OCULAR DISORDERS Kadmon Corporation, LLC (US) 2015-08-12 — — EP disclosed
EP-2903618-A2 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2015-08-12 — — EP disclosed
WO-2014055996-A2 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2014-04-10 — — WO disclosed
WO-2014055999-A2 TREATMENT OF OCULAR DISORDERS KADMON CORPORATION, LLC (US) 2014-04-10 — — WO disclosed
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