SCHEMBL25075307

SCHEMBL25075307

CC1CCN(C(=O)CCN2CC[C@H](C(C)C)C2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
POLB P06746 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.45
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 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
SCHEMBL25075118 0.93 NPC1 (0.41) NPC1POLBHTTALDH1A1KMT2A
SCHEMBL26494345 0.93 NPC1 (0.41) NPC1POLBHTTALDH1A1KMT2A
SCHEMBL25075107 0.93 NPC1 (0.41) NPC1POLBHTTALDH1A1KMT2A
SCHEMBL25075495 0.85 NPC1 (0.42) NPC1POLBALDH1A1KMT2AMEN1
SCHEMBL26494075 0.85 NPC1 (0.44) NPC1POLBHTTSMN1; SMN2GNAI3
SCHEMBL26496248 0.84 HRH3 (0.40) NPC1POLBHTTALDH1A1L3MBTL1
SCHEMBL26494149 0.84 HRH3 (0.40) NPC1POLBHTTALDH1A1L3MBTL1
SCHEMBL26494145 0.84 NPC1 (0.46) NPC1POLBALDH1A1KMT2AMEN1
SCHEMBL25075318 0.84 NPC1 (0.46) NPC1POLBALDH1A1KMT2AMEN1
SCHEMBL26494350 0.84 NPC1 (0.46) NPC1POLBALDH1A1KMT2AMEN1

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