SCHEMBL28654152

SCHEMBL28654152

COC1(C#Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
ATM Q13315 1/20 0.45
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
STS P08842 1/20 0.44
TACR1 P25103 1/20 0.42
GPR183 P32249 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
USP30 Q70CQ3 1/20 0.41
GRM5 P41594 2/20 0.41
SCD5 Q86SK9 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40

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
SCHEMBL21937607 0.88 GRM5 (0.42) GPR119TSHRALOX15STSGPR183
SCHEMBL28661875 0.87 GRM5 (0.46) GPR119TACR1GPR183USP30GRM5
SCHEMBL31556485 0.86 MAPT (0.48) GPR119STSTACR1GPR183
SCHEMBL5237125 0.85 GRM5 (0.47) GPR119TSHRALOX15ATMOPRD1
SCHEMBL28643218 0.83 GPR119 (0.41) GPR119OPRD1OPRK1GPR183
SCHEMBL28646247 0.83 GRM5 (0.57) GPR119TSHRALOX15ATMOPRD1
SCHEMBL31134174 0.81 GPR119 (0.46) GPR119OPRD1OPRK1GPR183
SCHEMBL28653874 0.81 GPR119 (0.46) GPR119OPRD1OPRK1GPR183
SCHEMBL23250136 0.81 USP30 (0.48) GPR119TSHRALOX15ATMOPRD1
Trifluoroacetic Acid SCHEMBL30835943 0.80 MAPT (0.41) GPR119STSTACR1GPR183

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
CN-113620945-B RET inhibitor, pharmaceutical composition thereof and application of RET inhibitor in medicines 广东东阳光药业股份有限公司 2024-08-23 CN disclosed
CN-113620945-A RET inhibitor, pharmaceutical composition thereof and application thereof in medicines 广东东阳光药业有限公司 2021-11-09 CN disclosed