SCHEMBL23601366

SCHEMBL23601366

CC1=CCN(C(=O)C(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.45
HDAC6 Q9UBN7 5/20 0.41
NAMPT P43490 4/20 0.40
HDAC8 Q9BY41 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.38
QDPR P09417 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 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
SCHEMBL12286276 0.86 NAMPT (0.37) RIPK1HDAC6NAMPTMEN1KMT2A
SCHEMBL18867575 0.84 ESR1 (0.42) NAMPTMEN1KMT2AMAPTQDPR
SCHEMBL17342894 0.82 RIPK1 (0.33) RIPK1HDAC6NAMPTMEN1KMT2A
SCHEMBL16978139 0.81 HDAC6 (0.44) RIPK1HDAC6NAMPTHDAC8MEN1
SCHEMBL7687130 0.80 NAMPT (0.53) NAMPTMEN1KMT2AMAPTQDPR
SCHEMBL8261115 0.79 QDPR (0.49) NAMPTMAPTQDPRALDH1A1
SCHEMBL17888233 0.77 GRM1 (0.45) NAMPTMEN1KMT2A
SCHEMBL25799678 0.77 GRM5 (0.45) NAMPTALDH1A1NPC1RAB9A
SCHEMBL8218881 0.77 PDK4 (0.51) NAMPT
SCHEMBL17034783 0.77 RIPK1 (0.42) RIPK1HDAC6NAMPTHDAC8MEN1

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-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 WO disclosed