SCHEMBL9706761

SCHEMBL9706761

CC1CC(=O)NN=C1c1ccc2c(c1)OCC(=O)N2C.COC(=O)CC(C)C(=O)c1ccc2c(c1)OCC(=O)N2C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 16/20 0.68
PDE3A Q14432 16/20 0.68
GPR119 Q8TDV5 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42

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
SCHEMBL7343775 0.83 CYP11B2 (0.40) PDE3BPDE3AALDH1A1
SCHEMBL7349060 0.82 PDE3B (1.00) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7342699 0.76 USP30 (0.46) PDE3BPDE3AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7341201 0.75 PDE3B (0.83) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7344414 0.69 MAP3K5 (0.38)
SCHEMBL9589604 0.69 F10 (0.38) ALDH1A1
SCHEMBL9730876 0.68 CYP11B2 (0.41) PDE3BPDE3AALDH1A1
Iodide SCHEMBL9731026 0.67 CYP11B2 (0.41) PDE3BPDE3A
SCHEMBL7343441 0.67 PDE3B (0.83) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7419902 0.67 ALDH1A1 (0.44) ALDH1A1

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-1992011256-A1 PROCESS FOR THE PREPARATION OF BENZOXAZINYLTETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-09 WO disclosed