SCHEMBL27752004

SCHEMBL27752004

CC(C)(C)C(=O)ON1CCC(c2nnc(-c3ccccc3)[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.43
HTR2B P41595 11/20 0.39
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RIPK1 Q13546 1/20 0.35
PRMT5 O14744 2/20 0.35
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3879923 0.83 HPGDS (0.62) HPGDSPOLBPRMT5MAPTSMN1; SMN2
SCHEMBL27772579 0.82 SMO (0.39) HPGDSL3MBTL1RIPK1PRMT5SMN1; SMN2
SCHEMBL27812236 0.78 USP30 (0.51) HPGDS
SCHEMBL16054078 0.77 HPGDS (0.45) HPGDSL3MBTL1RIPK1
SCHEMBL16054075 0.77 HPGDS (0.45) HPGDSL3MBTL1RIPK1
SCHEMBL27488566 0.76 RIPK1 (0.51) L3MBTL1RIPK1
SCHEMBL19427933 0.75 NPC1 (0.46) HPGDSHTR2BPOLBL3MBTL1MAPT
SCHEMBL27892543 0.74 HTR2B (0.42) HPGDSHTR2B
SCHEMBL4956602 0.74 TSHR (0.47) HPGDSL3MBTL1RIPK1MAPT
SCHEMBL27812289 0.74 HTT (0.56) MAPTSMN1; SMN2

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-101511815-A New pyridine analogues ASTRAZENECA AB (SE) 2009-08-19 CN disclosed