SCHEMBL22248602

SCHEMBL22248602

CC(C)(N)CC(=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 3/20 0.34
CACNA1H O95180 1/20 0.33
RET P07949 4/20 0.33
KDR P35968 3/20 0.33
MGLL Q99685 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
DDR1 Q08345 3/20 0.32
CDK2 P24941 2/20 0.31
CDK8 P49336 2/20 0.31
SRC P12931 2/20 0.31
MKNK2 Q9HBH9 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

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
SCHEMBL22248606 1.00 FAAH (0.34) FAAHCACNA1HRETKDRMGLL
Hydrochloric Acid SCHEMBL30276382 0.99 FAAH (0.34) FAAHCACNA1HRETKDRMGLL
SCHEMBL22248405 0.91 FAAH (0.35) FAAHCACNA1HRETKDRMGLL
SCHEMBL22248722 0.91 FAAH (0.35) FAAHRETKDRMGLLTRPV1
Hydrochloric Acid SCHEMBL30276478 0.91 FAAH (0.35) FAAHRETKDRMGLLTRPV1
SCHEMBL22254392 0.91 FAAH (0.36) FAAHRETKDRTRPV1DDR1
Hydrochloric Acid SCHEMBL30401077 0.90 FAAH (0.36) FAAHRETKDRTRPV1DDR1
Hydrochloric Acid SCHEMBL22233846 0.90 FAAH (0.36) FAAHRETKDRTRPV1DDR1
SCHEMBL22249242 0.89 FAAH (0.34) FAAHRETKDRMGLLTRPV1
SCHEMBL25532400 0.89 FAAH (0.36) FAAHCACNA1HRETKDRMGLL

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