SCHEMBL25075103

SCHEMBL25075103

CCN1CCN(C(=O)CCN2CC(C(C)C)C2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.49
ALDH1A1 P00352 1/20 0.47
HTR1A P08908 1/20 0.39
HTR7 P34969 1/20 0.39
GAA P10253 1/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
ELANE P08246 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL26497685 0.91 HSD11B1 (0.47) HSD11B1ALDH1A1HTR1AHTR7GAA
SCHEMBL27055677 0.89 HSD11B1 (0.43) HSD11B1ALDH1A1HTR1AHTR7POLB
SCHEMBL25075495 0.88 NPC1 (0.42) HSD11B1ALDH1A1HTR1AHTR7POLB
SCHEMBL26494182 0.85 HRH3 (0.43) ALDH1A1HTR1AHTR7KDM4EELANE
SCHEMBL25075110 0.82 GNAI3 (0.41) HSD11B1ALDH1A1ELANE
SCHEMBL25075118 0.80 NPC1 (0.41) HSD11B1ALDH1A1POLBELANEMEN1
SCHEMBL26494345 0.80 NPC1 (0.41) HSD11B1ALDH1A1POLBELANEMEN1
SCHEMBL25075107 0.80 NPC1 (0.41) HSD11B1ALDH1A1POLBELANEMEN1
SCHEMBL26494176 0.79 NPC1 (0.47) HSD11B1ALDH1A1POLBMEN1KMT2A
SCHEMBL26496248 0.78 HRH3 (0.40) HSD11B1ALDH1A1HTR1AHTR7POLB

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-2023023537-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BRUTON'S TYROSINE KINASE ENDOTARGET INC. (US) 2023-02-23 WO disclosed