SCHEMBL30237145

SCHEMBL30237145

CC(C)(C)OC(=O)N1CC=C(c2cccnc2OCc2ccc(C#N)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.48
GRM1 Q13255 5/20 0.48
PDE10A Q9Y233 1/20 0.47
ELANE P08246 4/20 0.45
PDK4 Q16654 1/20 0.45
KDM1A O60341 1/20 0.44
GPR119 Q8TDV5 3/20 0.44
EED O75530 1/20 0.43
RBBP4 Q09028 1/20 0.43
SUZ12 Q15022 1/20 0.43
EZH2 Q15910 1/20 0.43
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL24574672 1.00 GRM5 (0.48) GRM5GRM1PDE10AELANEPDK4
SCHEMBL31009243 0.88 GRM1 (0.50) GRM5GRM1PDE10APDK4GPR119
SCHEMBL29668677 0.82 GPR119 (0.44) GRM5GRM1ELANEKDM1AGPR119
SCHEMBL22933049 0.82 GPR119 (0.44) GRM5GRM1ELANEKDM1AGPR119
SCHEMBL22391958 0.82 GLP1R (0.47) GRM5GRM1PDE10AELANEGPR119
SCHEMBL24498578 0.82 GRM1 (0.46) GRM5GRM1ELANEKDM1AGPR119
SCHEMBL29947339 0.82 GLP1R (0.47) GRM5GRM1PDE10AELANEGPR119
SCHEMBL24400933 0.82 ELANE (0.44) GRM5GRM1ELANEPDK4KDM1A
SCHEMBL24320715 0.81 KDM1A (0.45) GRM5GRM1ELANEKDM1AGPR119
SCHEMBL22932920 0.80 GPR119 (0.47) GRM5GRM1ELANEKDM1AGPR119

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-115667238-B Five-membered ring derivative and application thereof in medicine 西藏海思科制药有限公司 2024-08-23 CN disclosed
CN-115667238-A Five-membered ring derivative and application thereof in medicine 四川海思科制药有限公司 2023-01-31 CN disclosed