SCHEMBL26112142

SCHEMBL26112142

CC1CN(C(=O)O)[C@@H](C)CN1C(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 1/20 0.35
ACE P12821 1/20 0.33
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 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
SCHEMBL26110636 1.00 TSHR (0.45) TSHRMAPTGAASMN1; SMN2ATM
SCHEMBL26683413 1.00 TSHR (0.45) TSHRMAPTGAASMN1; SMN2ATM
SCHEMBL26648985 1.00 TSHR (0.45) TSHRMAPTGAASMN1; SMN2ATM
SCHEMBL11592910 0.91 TSHR (0.52) TSHRMAPTGAASMN1; SMN2ATM
SCHEMBL29942704 0.88 TSHR (0.54) TSHRMAPTGAASMN1; SMN2ATM
SCHEMBL29942458 0.88 TSHR (0.54) TSHRMAPTGAASMN1; SMN2ATM
SCHEMBL11069033 0.88
SCHEMBL20820011 0.85
SCHEMBL20820009 0.85
SCHEMBL21050630 0.80 TSHR (0.43) TSHRMAPTGAASMN1; SMN2ATM

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-2023196283-A1 EGFR INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2023-10-12 WO disclosed