SCHEMBL29892008

SCHEMBL29892008

CC(C)(C)OC(=O)N1CCNC(c2cc(F)ccc2F)C1.CC(C)(C)OC(=O)N1CCN[C@H](c2cc(F)ccc2F)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
BRD3 Q15059 2/20 0.42
NTRK1 P04629 5/20 0.42
PAK1 Q13153 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
MAPK1 P28482 1/20 0.40
USP30 Q70CQ3 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL29891665 1.00 GPR119 (0.45) GPR119SMN1; SMN2BRD3NTRK1PAK1
SCHEMBL22086326 1.00 GPR119 (0.45) GPR119SMN1; SMN2BRD3NTRK1PAK1
SCHEMBL22086319 1.00 GPR119 (0.45) GPR119SMN1; SMN2BRD3NTRK1PAK1
SCHEMBL29372092 1.00 GPR119 (0.45) GPR119SMN1; SMN2BRD3NTRK1PAK1
SCHEMBL29892095 1.00 GPR119 (0.45) GPR119SMN1; SMN2BRD3NTRK1PAK1
SCHEMBL16640393 0.91 SMN1; SMN2 (0.45) GPR119SMN1; SMN2BRD3PAK1HDAC1
SCHEMBL28620049 0.91 SMN1; SMN2 (0.45) GPR119SMN1; SMN2BRD3PAK1HDAC1
SCHEMBL4029062 0.88 GSK3B (0.43) GPR119SMN1; SMN2BRD3PAK1HDAC1
SCHEMBL4029061 0.88 GSK3B (0.43) GPR119SMN1; SMN2BRD3PAK1HDAC1
Hydrochloric Acid SCHEMBL14335191 0.87 GSK3B (0.44) GPR119SMN1; SMN2BRD3PAK1HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313295-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) Almac Discovery Limited (GB) 2024-02-07 EP disclosed
WO-2022200523-A1 PHARMACEUTICALS COMPOUNDS AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 19 (USP19) ALMAC DISCOVERY LIMITED (GB) 2022-09-29 WO disclosed