SCHEMBL7340568

SCHEMBL7340568

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N(C)C)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HSP90AA1 P07900 1/20 0.40
KCNMA1 Q12791 2/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
PYGL P06737 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 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
SCHEMBL7345706 0.94 TP53 (0.40) TP53GAAMAPTHTTLMNA
SCHEMBL7778655 0.94 TP53 (0.42) TP53GAAMAPTHTTLMNA
Hydrochloric Acid SCHEMBL7340879 0.94 TP53 (0.40) TP53GAAMAPTHTTLMNA
SCHEMBL7337957 0.93 TP53 (0.46) TP53GAAMAPTHTTLMNA
SCHEMBL7337781 0.93 TP53 (0.47) TP53GAAMAPTHTTLMNA
Hydrochloric Acid SCHEMBL7337694 0.92 TP53 (0.45) TP53GAAMAPTHTTLMNA
Hydrochloric Acid SCHEMBL7339559 0.92 TP53 (0.46) TP53GAAMAPTHTTLMNA
SCHEMBL7342171 0.92 TP53 (0.39) TP53GAAMAPTHTTLMNA
Hydrochloric Acid SCHEMBL7347237 0.92 TP53 (0.39) TP53GAAMAPTHTTLMNA
SCHEMBL7372697 0.92 TP53 (0.38) TP53GAAMAPTHTTLMNA

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