SCHEMBL24711925

SCHEMBL24711925

COC(=O)N1CCN(C(C)C)C[C@@H]1C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
PIK3CD O00329 1/20 0.34
PRKCB P05771 1/20 0.33
SLC6A9 P48067 1/20 0.33
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
MAPT P10636 1/20 0.32
HRH3 Q9Y5N1 6/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL21150507 0.85 TSHR (0.39) TSHRSMN1; SMN2PRKCBSLC6A9MAPT
SCHEMBL15333158 0.82 HRH3 (0.43) TSHRSMN1; SMN2HRH3CYP2D6KCNH2
SCHEMBL15332364 0.82 HRH3 (0.43) TSHRSMN1; SMN2HRH3CYP2D6KCNH2
SCHEMBL12349924 0.82 HRH3 (0.43) TSHRSMN1; SMN2HRH3CYP2D6KCNH2
SCHEMBL20008992 0.80 SMN1; SMN2 (0.40) TSHRSMN1; SMN2PRKCBSLC6A9MAPT
SCHEMBL20009022 0.80 SMN1; SMN2 (0.40) TSHRSMN1; SMN2PRKCBSLC6A9MAPT
SCHEMBL16869402 0.80 SMN1; SMN2 (0.40) TSHRSMN1; SMN2PRKCBSLC6A9MAPT
SCHEMBL24711535 0.79 SMN1; SMN2 (0.37) TSHRSMN1; SMN2PRKCBSLC6A9MAPT
SCHEMBL23876806 0.79 PIK3CD (0.40) TSHRSMN1; SMN2PIK3CDPRKCBSLC6A9
SCHEMBL24890702 0.77 TSHR (0.64) TSHRPIK3CDCHRNB2CHRNA4CHRNB4

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-2022261243-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. (US) 2022-12-15 WO disclosed