SCHEMBL25858237

SCHEMBL25858237

CC(C)(C)OC(=O)N1CCC(C#Cc2c(N)ncc3ccc(Br)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.41
GPR119 Q8TDV5 9/20 0.39
FPR2 P25090 1/20 0.38
BACE1 P56817 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH2 P05091 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
NR1H2 P55055 1/20 0.38
MAP4K4 O95819 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL22776493 0.88 GPR119 (0.45) USP30GPR119KDM4E
SCHEMBL25426082 0.84 GPR119 (0.49) USP30GPR119
SCHEMBL30381457 0.84 GPR119 (0.49) USP30GPR119
SCHEMBL16040735 0.81 GPR119 (0.40) GPR119KDM4EMAPTTHRBHSD17B10
SCHEMBL29774310 0.81 GPR119 (0.44) GPR119BACE1KDM4EMAPTTHRB
SCHEMBL20839829 0.81 GPR119 (0.44) GPR119BACE1KDM4EMAPTTHRB
SCHEMBL25339058 0.80 USP30 (0.42) USP30GPR119FPR2KDM4EALDH2
SCHEMBL22776965 0.80 STS (0.45) GPR119MAPT
SCHEMBL29978778 0.80 STS (0.45) GPR119MAPT
SCHEMBL25303941 0.78 FLT3 (0.37) KDM4EMAPT

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed