Sugi Predict

Sugi Predict / Compounds / SCHEMBL169301

SCHEMBL169301

SCHEMBL169301

CCC(C(=O)Oc1ccccc1)C(CN)C(=O)Nc1ccc2cnccc2c1.O=C(O)CC1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 19/20 0.51
▸ ROCK1 Q13464 2/20 0.50
▸ PRMT3 O60678 1/20 0.45

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
SCHEMBL169303 0.79 ROCK2 (0.57) ROCK2ROCK1
SCHEMBL13074674 0.74 ROCK2 (0.76) ROCK2ROCK1
SCHEMBL116572 0.73 ROCK2 (0.75) ROCK2ROCK1
SCHEMBL21514825 0.72 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL21430542 0.72 ROCK2 (0.65) ROCK2ROCK1
Hydrochloric Acid SCHEMBL29192331 0.71 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL118245 0.70 ROCK2 (0.52) ROCK2ROCK1
SCHEMBL115610 0.70 ROCK2 (0.55) ROCK2ROCK1
SCHEMBL21514824 0.70 ROCK2 (0.65) ROCK2ROCK1
SCHEMBL118441 0.70 ROCK2 (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424857-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME Aerie Pharmaceuticals, Inc. (US) 2012-03-07 — — EP disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 — — WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 — — WO disclosed