SCHEMBL7345937

SCHEMBL7345937

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccccc2)ccc1NC(=O)c1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.43
PDE4B Q07343 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
TOP2A P11388 1/20 0.41
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
GPR6 P46095 2/20 0.39
BRD4 O60885 1/20 0.39
YAP1 P46937 1/20 0.39
POLB P06746 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
SCHEMBL7346000 0.91 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DTOP2A
SCHEMBL7348607 0.89 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DTOP2A
SCHEMBL7369626 0.87 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DTOP2A
SCHEMBL7341082 0.86 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTOP2A
SCHEMBL7344138 0.81 GAA (0.42) TP53GAABRD4
SCHEMBL7340419 0.81 TP53 (0.51) TP53GAABRD4
SCHEMBL7341146 0.80 BRD4 (0.49) TP53GAABRD4
SCHEMBL7366621 0.79 TP53 (0.41) TP53GAABRD4
SCHEMBL7342173 0.78 AVPR2 (0.43) TP53GAABRD4
SCHEMBL7342198 0.78 RXFP1 (0.39)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed