SCHEMBL9854340

SCHEMBL9854340

CCOC(=O)C1CC(CC#N)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CTSK P43235 1/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
NR1H2 P55055 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
SCHEMBL10473809 1.00 FKBP1A (0.40) FKBP1AMEN1KMT2AALDH1A1MAPT
SCHEMBL10473808 1.00 FKBP1A (0.40) FKBP1AMEN1KMT2AALDH1A1MAPT
SCHEMBL8441308 0.85 NR1H2 (0.44) FKBP1AMEN1KMT2AALDH1A1TSHR
SCHEMBL9602159 0.83 MEN1 (0.40) FKBP1AMEN1KMT2AALDH1A1TSHR
SCHEMBL15080547 0.83 MEN1 (0.40) FKBP1AMEN1KMT2AALDH1A1TSHR
SCHEMBL10474267 0.83 FKBP1A (0.35) FKBP1AALDH1A1MAPT
SCHEMBL10472084 0.83 FKBP1A (0.35) FKBP1AALDH1A1MAPT
SCHEMBL9854227 0.83 FKBP1A (0.35) FKBP1AALDH1A1MAPT
SCHEMBL9854229 0.83 FKBP1A (0.35) FKBP1AALDH1A1MAPT
SCHEMBL9602272 0.82 MEN1 (0.39) FKBP1AMEN1KMT2AALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405834-A2 Tetrazole excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1991-01-02 EP disclosed
US-4968678-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1990-11-06 US disclosed