SCHEMBL9356154

SCHEMBL9356154

CCCC1(CCC)CCC2(CC1)CC(=O)N(CCC#N)C2=O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
ADRA1A P35348 1/20 0.30
ADRA1B P35368 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
SCHEMBL9355929 0.77 CHRM2 (0.43) CHRM2CHRM3ADRA1A
SCHEMBL17147302 0.67 CHRM2 (0.78) CHRM2CHRM3ADRA1AADRA1B
SCHEMBL9356394 0.66 CHRM2 (0.46) CHRM2CHRM3ADRA1A
SCHEMBL10514861 0.63 ALDH1A1 (0.40)
SCHEMBL6946137 0.62 CHRM2 (0.31) CHRM2CHRM3
SCHEMBL1043555 0.62 CHRM2 (1.00) CHRM2CHRM3ADRA1AADRA1B
SCHEMBL26323770 0.62 TSHR (0.37)
Bromide SCHEMBL6649504 0.61 CHRM2 (0.97) CHRM2CHRM3ADRA1AADRA1B
SCHEMBL5810929 0.61 ALDH1A1 (0.42) CHRM2CHRM3
SCHEMBL9359494 0.60 TERT (0.37) ADRA1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310321-B1 Immunomodulatory azaspiranes SMITHKLINE BEECHAM CORP (US) 1994-11-30 EP disclosed
WO-1989002889-A1 IMMUNOMODULATORY AZASPIRANES SMITHKLINE BECKMAN CORPORATION (US) 1989-04-06 WO disclosed
EP-0310321-A2 Immunomodulatory azaspiranes SMITHKLINE BEECHAM CORPORATION (US) 1989-04-05 EP disclosed