SCHEMBL22249145

SCHEMBL22249145

NC1CC12CCN(Cc1ccc(-n3ccc(NC(=O)N4CCNCC4)nc3=O)cc1)C2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.36
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34
RCOR1 Q9UKL0 1/20 0.34
JAK2 O60674 1/20 0.33
SYK P43405 1/20 0.33
POLB P06746 1/20 0.31
NAMPT P43490 2/20 0.30
FAAH O00519 1/20 0.30
DGAT1 O75907 1/20 0.30
ENPP2 Q13822 1/20 0.30
ABL1 P00519 1/20 0.30
RIN1 Q13671 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
SCHEMBL22248357 0.95 ROCK2 (0.35) ROCK2JAK2SYKNAMPTFAAH
SCHEMBL22249152 0.91 ROCK2 (0.38) ROCK2KDM1AMAOBRCOR1JAK2
SCHEMBL22249141 0.91 ROCK2 (0.38) ROCK2KDM1AMAOBRCOR1JAK2
SCHEMBL22248333 0.90 ROCK2 (0.36) ROCK2JAK2SYKNAMPTFAAH
SCHEMBL22248886 0.89 NAMPT (0.34) ROCK2POLBNAMPTFAAHDGAT1
SCHEMBL22248293 0.87 ROCK2 (0.36) ROCK2KDM1AMAOBRCOR1FAAH
SCHEMBL22248752 0.87 ROCK2 (0.34) ROCK2NAMPTFAAHDGAT1
Hydrochloric Acid SCHEMBL30276601 0.86 ROCK2 (0.34) ROCK2NAMPTFAAHDGAT1
SCHEMBL22254186 0.86 ROCK2 (0.35) ROCK2KDM1AMAOBRCOR1POLB
SCHEMBL22249119 0.86 KDM1A (0.45) KDM1AMAOBRCOR1NAMPT

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