SCHEMBL24890702

SCHEMBL24890702

COC(=O)N1CCN(C)CC1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
PIK3CD O00329 1/20 0.38
EGFR P00533 2/20 0.37
DRD2 P14416 2/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
USP2 O75604 1/20 0.33
DRD3 P35462 1/20 0.33
GAA P10253 1/20 0.33
FAAH O00519 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL15934124 0.81 MAPT (0.46) TSHRMAPTGAA
SCHEMBL6912374 0.80 SETD7 (0.46) TSHRUSP2
SCHEMBL10196598 0.80 SETD7 (0.46) TSHRUSP2
SCHEMBL10196611 0.80 SETD7 (0.46) TSHRUSP2
SCHEMBL4252900 0.79 TSHR (0.62) TSHRMAPTCHRNB2CHRNA4CHRNB4
SCHEMBL28424171 0.79 TSHR (0.39) TSHRDRD2MAPTGSK3BDYRK1A
SCHEMBL16009877 0.79 TSHR (0.39) TSHRDRD2MAPTGSK3BDYRK1A
SCHEMBL31597599 0.78 TSHR (0.46) TSHRCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL799032 0.78 CYP1A2 (0.43) TSHRMAPTGSK3BDYRK1AGAA
SCHEMBL4248088 0.78 TSHR (0.39) TSHRMAPTGSK3BDYRK1AGAA

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-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed