SCHEMBL24824323

SCHEMBL24824323

CN1C(=O)COc2cc(C=O)c(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
CYP11B1 P15538 1/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
GABRA5 P31644 4/20 0.34
GABRG2 P18507 3/20 0.34
GABRB3 P28472 3/20 0.34
PTGER3 P43115 1/20 0.34
HTR1A P08908 2/20 0.33
HTR2C P28335 2/20 0.33
GRM4 Q14833 1/20 0.33
SYK P43405 1/20 0.33
GABRA1 P14867 1/20 0.33
ALOX5 P09917 1/20 0.33
GPR55 Q9Y2T6 1/20 0.32
IDH1 O75874 1/20 0.32

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
SCHEMBL3347754 0.80 PDE3B (0.44) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL6619979 0.80 LMNA (0.54) CYP11B2CYP11B1PDE3BPDE3ALMNA
SCHEMBL1744601 0.79 PDE3B (0.43) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL8600208 0.79 CYP11B2 (0.42) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL1744896 0.78 CYP11B2 (0.41) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL4103368 0.77 HTR1A (0.45) CYP11B2CYP11B1PDE3BPDE3APTGER3
SCHEMBL16972829 0.76 CYP11B2 (0.42) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL1119872 0.74 PDE3B (0.50) CYP11B2CYP11B1PDE3BPDE3AHPGD
SCHEMBL20527122 0.73 CYP11B2 (0.48) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL20456013 0.73 CYP11B2 (0.51) CYP11B2CYP11B1PDE3BPDE3AHPGD

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-2022267930-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2022-12-29 WO disclosed