SCHEMBL22249113

SCHEMBL22249113

NC[C@@H]1[C@H]2CCN(Cc3ccc(-n4ccc(NC(=O)N5CCNCC5)nc4=O)cc3)C[C@@H]12

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.38
ENPP2 Q13822 1/20 0.31
DGAT1 O75907 1/20 0.31
UTS2R Q9UKP6 1/20 0.30
POLB P06746 1/20 0.30
KCNH2 Q12809 1/20 0.30
FAAH O00519 1/20 0.30
TEAD1 P28347 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
SCHEMBL22249108 0.95 ROCK2 (0.37) ROCK2ENPP2POLBFAAH
SCHEMBL22249105 0.95 ROCK2 (0.37) ROCK2ENPP2POLBFAAH
SCHEMBL25532024 0.89 ROCK2 (0.40) ROCK2ENPP2POLBKCNH2
SCHEMBL25553050 0.89 ROCK2 (0.40) ROCK2ENPP2POLBKCNH2
SCHEMBL22254547 0.89 ROCK2 (0.40) ROCK2ENPP2POLBKCNH2
SCHEMBL22248292 0.89 DGAT1 (0.33) ROCK2ENPP2DGAT1POLBKCNH2
SCHEMBL22249065 0.87 ROCK2 (0.37) ROCK2DGAT1FAAHTEAD1
SCHEMBL22254546 0.87 ROCK2 (0.41) ROCK2ENPP2UTS2RPOLBKCNH2
SCHEMBL22254545 0.87 ROCK2 (0.41) ROCK2ENPP2UTS2RPOLBKCNH2
SCHEMBL25532018 0.87 ROCK2 (0.41) ROCK2ENPP2UTS2RPOLBKCNH2

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