SCHEMBL28292819

SCHEMBL28292819

NC(=O)N1CCCCC1c1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CPT1A P50416 10/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 2/20 0.41
CPT2 P23786 6/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
PRCP P42785 1/20 0.38
CPT1B Q92523 3/20 0.38
KDM5A P29375 1/20 0.37
GRM5 P41594 2/20 0.37
CAMKK2 Q96RR4 1/20 0.36
CNR2 P34972 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
SCHEMBL30781994 0.90 KDM5A (0.37) CPT1APRMT5WDR77CDK5CDK5R1
SCHEMBL29504572 0.82 PRMT5 (0.55) CPT1APRMT5WDR77CPT2GRM5
SCHEMBL31430923 0.82 PRMT5 (0.55) CPT1APRMT5WDR77CPT2GRM5
SCHEMBL15645841 0.80 CPT1A (0.40) CPT1APRMT5WDR77CPT2CDK5
SCHEMBL28034186 0.78 GSK3B (0.37) KDM5A
SCHEMBL38659451 0.77 HSD11B1 (0.51) CPT1APRMT5WDR77GRM5
SCHEMBL8296762 0.77 HSD11B1 (0.51) CPT1APRMT5WDR77GRM5
SCHEMBL1963995 0.75 PRMT5 (0.39) CPT1APRMT5WDR77CPT1BKDM5A
SCHEMBL12090215 0.75 CHRNB2 (0.51)
SCHEMBL30297700 0.74 GRM5 (0.42) CPT1APRMT5WDR77CPT2PRCP

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
CN-109661392-A For treating the mitochondrial inhibitors of proliferative disorder 巴斯利尔药物国际股份公司 2019-04-19 CN disclosed