SCHEMBL7345312

SCHEMBL7345312

COC(=O)c1ccc(COc2cc(C)ccc2N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCNC(=O)OC(C)(C)C)c(OC)c2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 2/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKR1C3 P42330 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KCNMA1 Q12791 1/20 0.34
PYGL P06737 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7348561 0.95 TP53 (0.39) MAPTHTTHSP90AA1NPSR1GAA
SCHEMBL7780810 0.92 TP53 (0.42) MAPTHTTHSP90AA1NPSR1GAA
SCHEMBL7346417 0.91 TP53 (0.42) MAPTHTTHSP90AA1NPSR1GAA
SCHEMBL7344138 0.90 GAA (0.42) MAPTHTTHSP90AA1NPSR1GAA
SCHEMBL7347732 0.90 MAP3K7 (0.39) ATMRXFP1POLB
SCHEMBL7348212 0.89 IRAK4 (0.39) MAPTHTTHSP90AA1NPSR1GAA
SCHEMBL7345297 0.89 MAPT (0.40) MAPTHTTHSP90AA1NPSR1GAA
SCHEMBL7336388 0.89 TP53 (0.39) MAPTHTTHSP90AA1NPSR1GAA
SCHEMBL7337787 0.89 ALDH1A1 (0.41) MAPTHTTHSP90AA1NPSR1GAA
SCHEMBL7348285 0.89 TP53 (0.38) MAPTHTTHSP90AA1NPSR1GAA

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