SCHEMBL6827985

SCHEMBL6827985

Nn1c(C2CCC(OC=O)CC2)cc(-n2ccnc2)cc1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CD38 P28907 12/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
CRBN Q96SW2 2/20 0.33
TBXAS1 P24557 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PGR P06401 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
SCHEMBL6827087 0.83 PGR (0.39) CD38CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL6827401 0.82 HTR2A (0.39) CD38CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL6827359 0.82 PGR (0.38) CD38CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL6824827 0.82 PGR (0.38) CD38CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL6827314 0.80 HTR2A (0.44) CD38CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL6924518 0.73 PGR (0.36) CD38CYP11B1CYP11B2PDE3BPDE3A
SCHEMBL6827225 0.64 CD38 (0.43) CD38HTR2AHTR2CHTR2B
SCHEMBL6827215 0.61 NR1I2 (0.38) CD38
SCHEMBL30910359 0.60 CD38 (0.47) CD38CYP11B1CYP11B2PGR
SCHEMBL7131529 0.60 MLLT3 (0.40)

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-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed