SCHEMBL7348607

SCHEMBL7348607

COc1cc(C(=O)N(C)c2ccc(C)cc2O)ccc1NC(=O)c1ccccc1OC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
TOP2A P11388 1/20 0.43
KCNMA1 Q12791 1/20 0.42
TP53 P04637 3/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GPR6 P46095 2/20 0.40
KMT2A Q03164 2/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 0.39
CACNB3 P54284 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNG7 P62955 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
SCHEMBL7345937 0.89 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DTOP2A
SCHEMBL7346000 0.88 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DTOP2A
SCHEMBL7369626 0.85 PDE4D (0.44) PDE4APDE4BPDE4CPDE4DTOP2A
SCHEMBL7339219 0.85 KCNMA1 (0.48) TOP2AKCNMA1TP53GAAMAPT
SCHEMBL7341082 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DTOP2A
SCHEMBL7337765 0.78 KCNMA1 (0.44) KCNMA1TP53GAAMAPTKMT2A
SCHEMBL7338015 0.76 KCNMA1 (0.42) KCNMA1TP53GAAMAPTKMT2A
SCHEMBL7372454 0.75 KCNMA1 (0.48) KCNMA1TP53GAAMAPTKMT2A
SCHEMBL7512858 0.75 ALDH1A1 (0.50) KCNMA1TP53GAAMAPTKMT2A
SCHEMBL7342198 0.75 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 3 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
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed