SCHEMBL9266331

SCHEMBL9266331

COC(=O)N1CC2CCC(c3ccc(C#N)cc3)CC2CC1C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.36
GRIN2B Q13224 1/20 0.36
FASN P49327 10/20 0.36
HCRTR2 O43614 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL9266598 0.87 HCRTR2 (0.38) USP30FASNHCRTR2
SCHEMBL3391565 0.75 GRIK1 (0.38) HCRTR2
SCHEMBL6495295 0.74 GRIK1 (0.39) HCRTR2
SCHEMBL9266328 0.74 FASN (0.35) USP30FASN
SCHEMBL3303354 0.72 ATM (0.41)
SCHEMBL3305726 0.72 ATM (0.41)
SCHEMBL9269340 0.72 ALDH1A1 (0.41)
SCHEMBL6493877 0.72 GRIK1 (0.39)
SCHEMBL6500575 0.72 GRIK1 (0.39) GRIN2BHCRTR2FFAR4
SCHEMBL7167960 0.72 TSHR (0.36)

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
US-5446051-A Nervous system disorder and brain disorder ELI LILLY AND COMPANY (US) 1995-08-29 US disclosed