SCHEMBL31164697

SCHEMBL31164697

CC(C)(C)OC(=O)N1CCc2nc(N3CCC3)sc2C1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.50
ADORA1 P30542 2/20 0.47
MAPT P10636 3/20 0.45
GCK P35557 10/20 0.42
KDM4E B2RXH2 1/20 0.41
OGA O60502 1/20 0.41
ESR2 Q92731 1/20 0.40
NR1H2 P55055 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 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
SCHEMBL15880606 0.90 GRAMD1A (0.48) GRAMD1AADORA1MAPTGCKKDM4E
SCHEMBL12199715 0.88 GRAMD1A (0.46) GRAMD1AADORA1MAPTGCKKDM4E
SCHEMBL12199718 0.88 GRAMD1A (0.51) GRAMD1AADORA1MAPTGCKKDM4E
SCHEMBL12199719 0.86 GRAMD1A (0.44) GRAMD1AADORA1MAPTGCK
SCHEMBL30717625 0.84 GRAMD1A (0.44) GRAMD1AADORA1MAPTGCKKDM4E
SCHEMBL30717561 0.83 GRAMD1A (0.43) GRAMD1AADORA1MAPTGCKKDM4E
SCHEMBL12761195 0.82 GRAMD1A (0.53) GRAMD1AADORA1MAPTGCKKDM4E
SCHEMBL17993838 0.82 GRAMD1A (0.53) GRAMD1AADORA1MAPTGCKKDM4E
SCHEMBL165650 0.82 GRAMD1A (0.53) GRAMD1AADORA1MAPTGCKKDM4E
SCHEMBL31748905 0.81 GRM5 (0.42) GRAMD1AADORA1MAPTGCKOGA

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-2024213089-A1 SUBSTITUTED DIHYDROTHIENOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海壹迪生物技术有限公司 2024-10-17 WO disclosed