SCHEMBL25890390

SCHEMBL25890390

COc1cncc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.42
TRPV1 Q8NER1 1/20 0.42
GHSR Q92847 1/20 0.40
FPR2 P25090 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.38
BDKRB1 P46663 3/20 0.38
SLC22A12 Q96S37 1/20 0.38
AR P10275 1/20 0.37
GRM5 P41594 1/20 0.36
GSK3A P49840 1/20 0.36
BRAF P15056 2/20 0.36
RAF1 P04049 1/20 0.35
NAMPT P43490 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL31654116 1.00 FAAH (0.42) FAAHTRPV1GHSRFPR2SCN10A
SCHEMBL31654157 0.86 FPR2 (0.54) FAAHGHSRFPR2BDKRB1NAMPT
SCHEMBL31654583 0.83 FAAH (0.44) FAAHTRPV1GHSRFPR2SCN10A
SCHEMBL25890389 0.83 FAAH (0.44) FAAHTRPV1GHSRFPR2SCN10A
SCHEMBL31093763 0.82 NAMPT (0.47) SCN10ASLC22A12GRM5GSK3ABRAF
SCHEMBL14395723 0.82 NAMPT (0.47) SCN10ASLC22A12GRM5GSK3ABRAF
SCHEMBL31654381 0.82 FPR2 (0.41) FAAHTRPV1GHSRFPR2BDKRB1
SCHEMBL25890393 0.82 FPR2 (0.41) FAAHTRPV1GHSRFPR2BDKRB1
SCHEMBL25890386 0.79 ALDH1A1 (0.47) GHSR
SCHEMBL31611248 0.79 NAMPT (0.57) GHSRFPR2NAMPT

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-2023133336-A1 STAT MODULATORS AND USES THEREOF RECLUDIX PHARMA, INC. (US) 2023-07-13 WO disclosed