SCHEMBL7345152

SCHEMBL7345152

COc1cc(C(=O)N(C)c2ccc(C)cc2OCc2ccc(-c3ccccn3)cc2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.42
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
DRD2 P14416 4/20 0.36
HTR2C P28335 4/20 0.36
DRD3 P35462 4/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
MAPK14 Q16539 1/20 0.36
SMO Q99835 1/20 0.36
STING1 Q86WV6 1/20 0.35
DRD1 P21728 3/20 0.35
DRD4 P21917 3/20 0.35
BRD4 O60885 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7346770 0.94 ATM (0.38) ATMTP53GAASTING1BRD4
SCHEMBL7344138 0.91 GAA (0.42) TP53GAABRD4ALDH1A1LMNA
SCHEMBL7347145 0.91 MAPK14 (0.38) ATMTP53GAAMAPK14SMO
SCHEMBL7373035 0.90 ATM (0.35) ATMTP53GAABRD4ALDH1A1
SCHEMBL7780810 0.89 TP53 (0.42) ATMTP53GAADRD2BRD4
SCHEMBL7339444 0.89 TP53 (0.41) TP53GAAMAPK14SMOBRD4
SCHEMBL7343921 0.88 CYP19A1 (0.40) ATMTP53GAABRD4
SCHEMBL7337128 0.88 TP53 (0.34) ATMTP53GAABRD4ALDH1A1
Hydrochloric Acid SCHEMBL7341829 0.88 TP53 (0.40) TP53GAAMAPK14SMOBRD4
SCHEMBL7346417 0.88 TP53 (0.42) ATMTP53GAADRD2BRD4

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