SCHEMBL9854215

SCHEMBL9854215

C=CCN1CCC(CC#N)CC1C(=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 7/20 0.33
ALDH1A1 P00352 5/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL9854214 1.00 FKBP1A (0.34) FKBP1AMAPTKDM4EALDH1A1MEN1
SCHEMBL10474288 1.00 FKBP1A (0.34) FKBP1AMAPTKDM4EALDH1A1MEN1
SCHEMBL9854219 1.00 FKBP1A (0.34) FKBP1AMAPTKDM4EALDH1A1MEN1
SCHEMBL10474267 0.79 FKBP1A (0.35) FKBP1AMAPTALDH1A1
SCHEMBL9854227 0.79 FKBP1A (0.35) FKBP1AMAPTALDH1A1
SCHEMBL10472084 0.79 FKBP1A (0.35) FKBP1AMAPTALDH1A1
SCHEMBL9854229 0.79 FKBP1A (0.35) FKBP1AMAPTALDH1A1
SCHEMBL10473809 0.73 FKBP1A (0.40) FKBP1AMAPTKDM4EALDH1A1MEN1
SCHEMBL9854340 0.73 FKBP1A (0.40) FKBP1AMAPTKDM4EALDH1A1MEN1
SCHEMBL10473808 0.73 FKBP1A (0.40) FKBP1AMAPTKDM4EALDH1A1MEN1

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