SCHEMBL9854227

SCHEMBL9854227

C=COC(=O)N1CC[C@@H](CC#N)C[C@H]1C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.35
ELANE P08246 1/20 0.33
CTSG P08311 1/20 0.33
MAPT P10636 2/20 0.32
IDH1 O75874 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL10472084 1.00 FKBP1A (0.35) FKBP1AELANECTSGMAPTIDH1
SCHEMBL10474267 1.00 FKBP1A (0.35) FKBP1AELANECTSGMAPTIDH1
SCHEMBL9854229 1.00 FKBP1A (0.35) FKBP1AELANECTSGMAPTIDH1
SCHEMBL9854288 0.89 SIGMAR1 (0.30)
SCHEMBL9854281 0.89 SIGMAR1 (0.30)
SCHEMBL9854292 0.89 SIGMAR1 (0.30)
SCHEMBL9854340 0.83 FKBP1A (0.40) FKBP1AMAPTALDH1A1
SCHEMBL10473808 0.83 FKBP1A (0.40) FKBP1AMAPTALDH1A1
SCHEMBL10473809 0.83 FKBP1A (0.40) FKBP1AMAPTALDH1A1
SCHEMBL9854219 0.79 FKBP1A (0.34) FKBP1AMAPTALDH1A1

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