SCHEMBL25555185

SCHEMBL25555185

COC(=O)[C@]12CCC(C)N1C[C@H](F)C2

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 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
SCHEMBL9853458 0.74 LMNA (0.38) TSHR
SCHEMBL27043952 0.74 TSHR (0.32) TSHR
SCHEMBL27043939 0.74 TSHR (0.32) TSHR
SCHEMBL26893899 0.74 TSHR (0.32) TSHR
SCHEMBL30709846 0.74 TSHR (0.32) TSHR
SCHEMBL29939789 0.74 TSHR (0.32) TSHR
SCHEMBL30710118 0.74 TSHR (0.32) TSHR
SCHEMBL16771549 0.74 NPSR1 (0.33) TSHR
SCHEMBL30584066 0.74 OPRK1 (0.40) TSHR
SCHEMBL24649055 0.72 NPSR1 (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
WO-2023086383-A1 SELECT KRAS G12C INHIBITORS AND USES THEREOF 1200 PHARMA LLC (US) 2023-05-19 WO disclosed