SCHEMBL9697780

SCHEMBL9697780

C=CCOC(=O)N1CCC[C@H]1CC1=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]2C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.32
MGLL Q99685 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
ESR1 P03372 1/20 0.30
CHRM1 P11229 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30
SLC29A1 Q99808 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
SCHEMBL9697735 0.86 KDM4E (0.40) FAAHMGLLKDM4ELMNAESR1
SCHEMBL9698230 0.86 ESR1 (0.34) FAAHMGLLKDM4ELMNAESR1
SCHEMBL9382387 0.85 FAAH (0.32) FAAHMGLLKDM4ELMNAESR1
SCHEMBL9699373 0.84
SCHEMBL9193295 0.84 ESR1 (0.32) FAAHKDM4ELMNAESR1CHRM1
SCHEMBL9193288 0.84 ESR1 (0.32) FAAHKDM4ELMNAESR1CHRM1
SCHEMBL9193291 0.84 ESR1 (0.32) FAAHKDM4ELMNAESR1CHRM1
SCHEMBL9699187 0.84 FAAH (0.33) FAAHMGLLKDM4ELMNAESR1
SCHEMBL9699045 0.83
SCHEMBL9696652 0.83

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-1992002521-A1 1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-02-20 WO disclosed