SCHEMBL29050076

SCHEMBL29050076

CCC1CCCC(=O)N1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
PER2 O15055 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL22541554 0.89 PER2 (0.36) PER2
SCHEMBL16230708 0.89 PER2 (0.36) PER2
SCHEMBL21339377 0.81 CYP2D6 (0.32)
SCHEMBL16421826 0.75 BRD4 (0.37) TDP1ALDH1A1MAPT
SCHEMBL21339378 0.75 PER2 (0.35) MAPTPER2
SCHEMBL19565546 0.75 PER2 (0.35) MAPTPER2
SCHEMBL9549307 0.73 TDP1 (0.36) TDP1ALDH1A1MAPT
SCHEMBL12052851 0.73 ALDH1A1 (0.36) TDP1ALDH1A1MAPT
SCHEMBL10491078 0.73 P2RX7 (0.37) TDP1ALDH1A1PER2
SCHEMBL18383589 0.73 BRD4 (0.31)

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
CN-116171280-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-05-26 CN disclosed