SCHEMBL29329460

SCHEMBL29329460

CC(C)(C)OC(=O)N1CCC2(CCc3c2nc2ccnn2c3Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NAMPT P43490 3/20 0.36
STS P08842 2/20 0.35
CYP11B2 P19099 1/20 0.35
GPR119 Q8TDV5 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
SCHEMBL29331408 0.82 POLB (0.37) POLBTSHRALOX15MEN1KMT2A
SCHEMBL9948092 0.80 POLB (0.42) POLBMEN1KMT2ASTSGPR119
SCHEMBL29329754 0.79 PDE10A (0.39)
SCHEMBL29329456 0.77 PDE10A (0.37)
SCHEMBL29329467 0.77 PDE10A (0.37)
SCHEMBL29329459 0.75 PDE10A (0.36)
SCHEMBL29331804 0.75 POLB (0.33) POLBMEN1KMT2A
SCHEMBL9948082 0.74 POLB (0.37) POLBMEN1KMT2ASTSGPR119
SCHEMBL29329223 0.72 USP30 (0.38) TSHRALOX15OPRD1OPRK1HDAC1
SCHEMBL29329475 0.72 PDE10A (0.37)

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