SCHEMBL25075110

SCHEMBL25075110

CCC1CCN(C(=O)CCN2CC(C(C)C)C2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.41
GNAO1 P09471 5/20 0.41
GNAI1 P63096 5/20 0.41
NPC1 O15118 1/20 0.38
HSD11B1 P28845 1/20 0.38
EPHX2 P34913 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ELANE P08246 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ITGB3 P05106 4/20 0.34
ITGA2B P08514 4/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL25075495 0.91 NPC1 (0.42) GNAI3GNAO1GNAI1NPC1HSD11B1
SCHEMBL26494345 0.84 NPC1 (0.41) GNAI3GNAO1GNAI1NPC1HSD11B1
SCHEMBL25075118 0.84 NPC1 (0.41) GNAI3GNAO1GNAI1NPC1HSD11B1
SCHEMBL25075107 0.84 NPC1 (0.41) GNAI3GNAO1GNAI1NPC1HSD11B1
SCHEMBL26494176 0.82 NPC1 (0.47) GNAI3GNAO1GNAI1NPC1HSD11B1
SCHEMBL25075103 0.82 HSD11B1 (0.49) HSD11B1ELANEALDH1A1
SCHEMBL26494190 0.82 NPC1 (0.41) GNAI3GNAO1GNAI1NPC1HSD11B1
SCHEMBL25075451 0.82 GNAI3 (0.46) GNAI3GNAO1GNAI1NPC1HSD11B1
SCHEMBL26494075 0.82 NPC1 (0.44) GNAI3GNAO1GNAI1NPC1HSD11B1
SCHEMBL25075134 0.81 NPC1 (0.40) GNAI3GNAO1GNAI1NPC1HSD11B1

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