SCHEMBL29329223

SCHEMBL29329223

CC(C)(C)OC(=O)N1CCC2(CCc3c2[nH]c2ccnn2c3=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SPR P35270 2/20 0.37
NAMPT P43490 4/20 0.36
GPR119 Q8TDV5 3/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
SCD5 Q86SK9 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL29329463 0.80
SCHEMBL29329466 0.78
SCHEMBL29329221 0.77
SCHEMBL29329236 0.73 OPRM1 (0.33)
SCHEMBL29329568 0.73 OPRM1 (0.31)
SCHEMBL5894993 0.72 KDM4E (0.41) USP30HDAC1HDAC8HDAC6ALOX15
SCHEMBL29329460 0.72 POLB (0.39) HDAC1HDAC8HDAC6ALOX15TSHR
SCHEMBL5895185 0.69 TSHR (0.39) USP30ALOX15TSHRNAMPTDDB1
SCHEMBL29329321 0.69 CDC7 (0.31)
SCHEMBL5895323 0.69 USP2 (0.47) USP30HDAC1HDAC8HDAC6ALOX15

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-2024151112-A1 PYRAZOLOPYRIMIDINE DERIVATIVE AS CYCLIN-DEPENDENT KINASE 9 INHIBITOR 주식회사 티움바이오 2024-07-18 WO disclosed