SCHEMBL7337765

SCHEMBL7337765

COc1cc(C(=O)N(C)c2ccc(C)cc2O)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.44
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
ATM Q13315 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HIF1A Q16665 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7346417 0.95 TP53 (0.42) KCNMA1TP53GAAMAPTHTT
SCHEMBL7780810 0.95 TP53 (0.42) KCNMA1TP53GAAMAPTHTT
SCHEMBL7345297 0.91 MAPT (0.40) KCNMA1TP53GAAMAPTHTT
SCHEMBL7348212 0.91 IRAK4 (0.39) KCNMA1TP53GAAMAPTHTT
SCHEMBL7336388 0.91 TP53 (0.39) KCNMA1TP53GAAMAPTHTT
SCHEMBL7342516 0.90 ALDH1A1 (0.41) TP53GAAMAPTNPSR1BRD4
SCHEMBL7344138 0.90 GAA (0.42) KCNMA1TP53GAAMAPTHTT
SCHEMBL7337787 0.90 ALDH1A1 (0.41) KCNMA1TP53GAAMAPTHTT
SCHEMBL7780836 0.90 TP53 (0.38) KCNMA1TP53GAAMAPTHTT
SCHEMBL7348285 0.90 TP53 (0.38) KCNMA1TP53GAAMAPTHTT

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