SCHEMBL21704367

SCHEMBL21704367

NC1COc2cc(N3CC4CCC(C3)N4)ccc2C1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.39
CHRNA4 P43681 2/20 0.39
USP28 Q96RU2 1/20 0.33
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 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
SCHEMBL24248162 0.84 CHRNB2 (0.39) CHRNB2CHRNA4USP28CHRNB4CHRNA3
SCHEMBL23938406 0.79 ESR1 (0.31)
SCHEMBL20731115 0.77 OPRK1 (0.49) CHRNB2CHRNA4USP28
SCHEMBL20731114 0.77 OPRK1 (0.49) CHRNB2CHRNA4USP28
SCHEMBL20722677 0.77 GRK2 (0.31)
SCHEMBL23938395 0.76
SCHEMBL20731238 0.76
SCHEMBL21704292 0.76
SCHEMBL24595730 0.76 CHRNB2 (0.40) CHRNB2CHRNA4USP28CHRNB4CHRNA3
SCHEMBL20722671 0.75 HRH3 (0.31)

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-2020033707-A1 CARBOXAMIDES AS UBIQUITIN-SPECIFIC PROTEASE INHIBITORS FORMA THERAPEUTICS, INC. (US) 2020-02-13 WO disclosed