SCHEMBL22248405

SCHEMBL22248405

CC1CN(Cc2ccc(-n3ccc(NC(=O)N4CCN(C(=O)CC(C)(C)N)CC4)nc3=O)cc2C(F)(F)F)CC1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.35
MGLL Q99685 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
CACNA1H O95180 1/20 0.33
RET P07949 4/20 0.32
KDR P35968 3/20 0.32
EPHX2 P34913 1/20 0.32
DDR1 Q08345 2/20 0.31
CDK2 P24941 2/20 0.31
CDK8 P49336 2/20 0.31
MKNK2 Q9HBH9 2/20 0.31
SRC P12931 2/20 0.31
ABL1 P00519 2/20 0.31
CDK1 P06493 1/20 0.31
STK25 O00506 1/20 0.31
CIT O14578 1/20 0.31
MAP2K7 O14733 1/20 0.31
IKBKB O14920 1/20 0.31
AURKA O14965 1/20 0.31
GAK O14976 1/20 0.31

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
SCHEMBL22248602 0.91 FAAH (0.34) FAAHMGLLTRPV1CACNA1HRET
SCHEMBL22248606 0.91 FAAH (0.34) FAAHMGLLTRPV1CACNA1HRET
Hydrochloric Acid SCHEMBL30276382 0.91 FAAH (0.34) FAAHMGLLTRPV1CACNA1HRET
SCHEMBL25532400 0.89 FAAH (0.36) FAAHMGLLTRPV1CACNA1HRET
SCHEMBL22254392 0.89 FAAH (0.36) FAAHTRPV1RETKDREPHX2
Hydrochloric Acid SCHEMBL30401077 0.89 FAAH (0.36) FAAHTRPV1RETKDREPHX2
Hydrochloric Acid SCHEMBL22233846 0.89 FAAH (0.36) FAAHTRPV1RETKDREPHX2
SCHEMBL22248722 0.83 FAAH (0.35) FAAHMGLLTRPV1RETKDR
Hydrochloric Acid SCHEMBL30276478 0.82 FAAH (0.35) FAAHMGLLTRPV1RETKDR
SCHEMBL22249242 0.81 FAAH (0.34) FAAHMGLLTRPV1RETKDR

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