SCHEMBL29106925

SCHEMBL29106925

CC(C)(C)OC(=O)C(C1CCNCC1)C1CNC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL28103000 0.79 CPN1 (0.31) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL25337412 0.79 BRPF1 (0.32) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL27511091 0.78 CPN1 (0.36) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL412203 0.78 CPN1 (0.36) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL4565414 0.78 CPN1 (0.36) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL7390438 0.77 SLC6A1 (0.33) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL4312543 0.77 SLC6A1 (0.33) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL7383261 0.77 SLC6A1 (0.33) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL854892 0.77 DPP4 (0.37) CPN1CPB2SLC6A2SLC6A4SLC6A3
SCHEMBL4431392 0.77 CPN1 (0.35) CPN1CPB2SLC6A2SLC6A4SLC6A3

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
CN-117042769-A Substituted pyrrolopyrimidines and pyrazolopyrimidines as Bruton's Tyrosine Kinase (BTK) degrading agents 冰洲石生物科技公司 2023-11-10 CN disclosed