SCHEMBL25819543

SCHEMBL25819543

CCN(CC)CC#CC(C)(C)CC(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM5 P08912 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPY2R P49146 1/20 0.34
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL21192215 0.82 CHRM2 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25822713 0.77 MEN1 (0.35) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL25747740 0.74 KCNH2 (0.36) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2611009 0.73 MEN1 (0.42) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL8992314 0.70 MEN1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL21192211 0.70 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL17407569 0.67 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL10257125 0.67 CHRM2 (0.59) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL23863480 0.65 MEN1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2945562 0.64 CHRM2 (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3

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-2023126257-A1 ALKALINE COMPOSITION FOR COPPER ELECTROPLATING COMPRISING A GRAIN REFINER BASF SE (DE) 2023-07-06 WO disclosed