SCHEMBL257370

SCHEMBL257370

O=C(c1ccc(C(=O)N[C@H]2C3CC4C[C@@]5(O)CC2CC45C3)c(OC2CCOCC2)c1)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 2/20 0.41
BAZ2B Q9UIF8 1/20 0.41
PDE4D Q08499 9/20 0.35
HSD11B1 P28845 5/20 0.34
PDE4A P27815 5/20 0.33
PDE4B Q07343 5/20 0.33
PDE4C Q08493 5/20 0.33
GRM5 P41594 1/20 0.33
PDE5A O76074 1/20 0.33
WNT3A P56704 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HSD11B2 P80365 1/20 0.33

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
SCHEMBL15100752 0.86 HSD11B1 (0.47) KAT2BBAZ2BHSD11B1HSD11B2
SCHEMBL15090591 0.86 HSD11B1 (0.47) KAT2BBAZ2BHSD11B1HSD11B2
SCHEMBL15090633 0.78 HSD11B1 (0.48) PDE4DHSD11B1HSD11B2
SCHEMBL257359 0.78 HSD11B1 (0.48) PDE4DHSD11B1HSD11B2
SCHEMBL15090539 0.78 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL15198837 0.78 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL10046962 0.78 HSD11B1 (0.47) HSD11B1HSD11B2
SCHEMBL257369 0.75 KAT2B (0.50) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL257366 0.74 KAT2B (0.53) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL10046793 0.73 HSD11B1 (0.51) HSD11B1HSD11B2

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-2012029942-A1 CYCLIC AMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2012-03-08 WO disclosed