SCHEMBL22249122

SCHEMBL22249122

NCC12CC1CN(Cc1ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc1)C2

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.35
ENPP2 Q13822 1/20 0.31
POLB P06746 1/20 0.30

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
SCHEMBL22248310 0.93 KCNH2 (0.32) ROCK2
SCHEMBL22248283 0.91 FAAH (0.33)
SCHEMBL22249047 0.88 ROCK2 (0.33) ROCK2
Hydrochloric Acid SCHEMBL22235990 0.87 ROCK2 (0.33) ROCK2
SCHEMBL22248300 0.87
SCHEMBL22248414 0.85 ROCK2 (0.33) ROCK2
SCHEMBL22254138 0.85 ROCK2 (0.34) ROCK2POLB
SCHEMBL22249152 0.84 ROCK2 (0.38) ROCK2ENPP2POLB
SCHEMBL22254145 0.84 ROCK2 (0.38) ROCK2ENPP2POLB
SCHEMBL22254537 0.84 ROCK2 (0.39) ROCK2ENPP2POLB

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
WO-2020150372-A1 ANTIMICROBIAL COMPOUNDS AND METHODS CURZA GLOBAL, LLC (US) 2020-07-23 WO disclosed