SCHEMBL25075451

SCHEMBL25075451

CCC1CCN(CCCC(=O)N2CCC(C(C)C)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 8/20 0.46
GNAO1 P09471 8/20 0.46
GNAI1 P63096 8/20 0.46
NPC1 O15118 1/20 0.44
KDM1A O60341 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
HTR1A P08908 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
CHRM3 P20309 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL25075204 0.93 NPC1 (0.50) GNAI3GNAO1GNAI1NPC1KDM1A
SCHEMBL25075141 0.92 GNAI3 (0.44) GNAI3GNAO1GNAI1NPC1ITGB3
SCHEMBL26494080 0.89 NPC1 (0.45) GNAI3GNAO1GNAI1NPC1KDM1A
SCHEMBL26494145 0.86 NPC1 (0.46) GNAI3GNAO1GNAI1NPC1KDM1A
SCHEMBL2603225 0.86 L3MBTL1 (0.49) GNAI3GNAO1GNAI1NPC1L3MBTL1
SCHEMBL26494350 0.86 NPC1 (0.46) GNAI3GNAO1GNAI1NPC1KDM1A
SCHEMBL25075318 0.86 NPC1 (0.46) GNAI3GNAO1GNAI1NPC1KDM1A
SCHEMBL25075138 0.84 NPC1 (0.43) GNAI3GNAO1GNAI1NPC1ITGB3
SCHEMBL26494363 0.84 NPC1 (0.43) GNAI3GNAO1GNAI1NPC1ITGB3
SCHEMBL26494158 0.84 NPC1 (0.43) GNAI3GNAO1GNAI1NPC1ITGB3

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