SCHEMBL22249242

SCHEMBL22249242

CC(N)(CO)C(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(CN4CC5C(N)C5C4)c(C(F)(F)F)c3)c(=O)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.34
MGLL Q99685 1/20 0.33
RET P07949 4/20 0.33
KDR P35968 3/20 0.33
TRPV1 Q8NER1 1/20 0.32
SRC P12931 3/20 0.31
DDR1 Q08345 3/20 0.31
CDK2 P24941 2/20 0.31
CDK8 P49336 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
CHUK O15111 1/20 0.31
MUSK O15146 1/20 0.31
MAPK13 O15264 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
Hydrochloric Acid SCHEMBL30276462 0.99 FAAH (0.34) FAAHMGLLRETKDRTRPV1
SCHEMBL22248722 0.94 FAAH (0.35) FAAHMGLLRETKDRTRPV1
Hydrochloric Acid SCHEMBL30276478 0.93 FAAH (0.35) FAAHMGLLRETKDRTRPV1
SCHEMBL22248867 0.91 DPP4 (0.32) FAAHTRPV1
SCHEMBL22248870 0.90 EPHX2 (0.34) FAAH
Hydrochloric Acid SCHEMBL30276630 0.90 DPP4 (0.32) FAAHTRPV1
SCHEMBL22248820 0.90 EPHX2 (0.34) FAAH
SCHEMBL22248879 0.90 EPHX2 (0.34) FAAH
SCHEMBL22248606 0.89 FAAH (0.34) FAAHMGLLRETKDRTRPV1
SCHEMBL22248602 0.89 FAAH (0.34) FAAHMGLLRETKDRTRPV1

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