SCHEMBL7345808

SCHEMBL7345808

COc1cc(C(=O)N(C)c2ccc(C)cc2O)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 3/20 0.49
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 5/20 0.43
HTT P42858 2/20 0.43
HSP90AA1 P07900 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRPF1 P55201 2/20 0.42
MELK Q14680 1/20 0.42
BRD4 O60885 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.41
HIF1A Q16665 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL7337409 0.94 TP53 (0.47) KCNMA1TP53GAAMAPTHTT
SCHEMBL7337781 0.94 TP53 (0.47) KCNMA1TP53GAAMAPTHTT
Hydrochloric Acid SCHEMBL7339559 0.93 TP53 (0.46) KCNMA1TP53GAAMAPTHTT
SCHEMBL7337957 0.92 TP53 (0.46) KCNMA1TP53GAAMAPTHTT
Hydrochloric Acid SCHEMBL7337694 0.92 TP53 (0.45) KCNMA1TP53GAAMAPTHTT
SCHEMBL7778655 0.89 TP53 (0.42) KCNMA1TP53GAAMAPTHTT
Hydrochloric Acid SCHEMBL7336895 0.88 ALDH1A1 (0.45) KCNMA1TP53GAAMAPTNPSR1
SCHEMBL7339638 0.88 BRD4 (0.43) KCNMA1TP53GAAMAPTHTT
SCHEMBL7340568 0.88 TP53 (0.41) KCNMA1TP53GAAMAPTHTT
SCHEMBL7338389 0.87 HDAC3 (0.41) 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