SCHEMBL30342136

SCHEMBL30342136

CON(C)C(=O)c1cnc(OCC(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
SIRT6 Q8N6T7 1/20 0.39
CNR2 P34972 2/20 0.38
BACE1 P56817 6/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
MLYCD O95822 1/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SCN9A Q15858 1/20 0.35
MAPT P10636 1/20 0.35
OXTR P30559 2/20 0.35
AVPR1A P37288 2/20 0.35

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
SCHEMBL29005276 1.00 L3MBTL1 (0.43) L3MBTL1SIRT6CNR2BACE1BACE2
SCHEMBL16601358 0.81 SIRT6 (0.59) SIRT6OXTRAVPR1A
SCHEMBL31132803 0.80 L3MBTL1 (0.48) L3MBTL1SIRT6CNR2BACE1BACE2
SCHEMBL2108636 0.80 L3MBTL1 (0.48) L3MBTL1SIRT6CNR2BACE1BACE2
SCHEMBL24774974 0.80 MLYCD (0.40) SIRT6MLYCDSCN9AOXTRAVPR1A
SCHEMBL30108431 0.80 MLYCD (0.40) SIRT6MLYCDSCN9AOXTRAVPR1A
SCHEMBL2713528 0.80 L3MBTL1 (0.63) L3MBTL1MLYCDPOLBMAPK1SCN9A
SCHEMBL31191212 0.80 CNR2 (0.37) L3MBTL1CNR2MLYCDSCN9A
SCHEMBL29005252 0.80 L3MBTL1 (0.43) L3MBTL1CNR2MLYCDPOLBMAPK1
SCHEMBL30342225 0.80 L3MBTL1 (0.43) L3MBTL1CNR2MLYCDPOLBMAPK1

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
EP-4168393-A1 2-OXOIMIDAZOLIDINE-4-CARBOXAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme LLC (US) 2023-04-26 EP disclosed