SCHEMBL30984699

SCHEMBL30984699

COC(=O)c1ncc(N2CCC3(CCN(C(=O)OC(C)(C)C)C3)CC2)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.53
ACACB O00763 5/20 0.46
HIF1A Q16665 2/20 0.43
SCD5 Q86SK9 1/20 0.42
HDAC2 Q92769 2/20 0.42
CYP3A4 P08684 5/20 0.42
CYP2C19 P33261 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
TSHR P16473 3/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2D6 P10635 1/20 0.41
RET P07949 1/20 0.41
NAMPT P43490 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
HDAC1 Q13547 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL23536683 0.85 GPR119 (0.53) CYP2C19MEN1KMT2ATSHRNAMPT
SCHEMBL20468940 0.81 CYP11B2 (0.53) CYP11B2ACACBSCD5HDAC2CYP3A4
SCHEMBL30263212 0.81 GPR119 (0.49) CYP11B2ACACBHIF1ASCD5HDAC2
SCHEMBL24107659 0.81 GPR119 (0.49) CYP11B2ACACBHIF1ASCD5HDAC2
SCHEMBL30484800 0.80 CYP11B2 (0.56) CYP11B2ACACBSCD5HDAC2MEN1
SCHEMBL25885002 0.80 CYP11B2 (0.56) CYP11B2ACACBSCD5HDAC2MEN1
SCHEMBL1639768 0.80 CRBN (0.53) CYP11B2ACACBCYP3A4CYP2C19KMT2A
SCHEMBL30328685 0.80 CYP11B2 (0.50) CYP11B2ACACBHIF1ACYP3A4CYP2C19
SCHEMBL30329041 0.79 CYP11B2 (0.52) CYP11B2ACACBHIF1ACYP3A4CYP2C19
SCHEMBL484102 0.78 HIF1A (0.63) CYP11B2HIF1ACYP3A4CYP2C19MEN1

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-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO disclosed