SCHEMBL7024798

SCHEMBL7024798

COC(=O)c1ccc(C(=O)N2Cc3cccnc3Oc3ccccc32)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
MAPT P10636 1/20 0.42
SHMT2 P34897 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
LMNA P02545 3/20 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
SCHEMBL7017866 0.92 TP53 (0.46) TP53MAPTSHMT2RXFP1PDE4A
SCHEMBL7022486 0.81 MEN1 (0.41) TP53MAPTRXFP1LMNA
Hydrochloric Acid SCHEMBL7017945 0.81 MEN1 (0.40) TP53MAPTRXFP1LMNA
SCHEMBL7342280 0.79 MEN1 (0.47) TP53
SCHEMBL7211563 0.76 OXTR (0.45) TP53SHMT2LMNA
SCHEMBL7343520 0.75 AVPR2 (0.59) MAPTLMNA
SCHEMBL6616147 0.74 KDM4E (0.45) TP53MAPTSHMT2LMNA
SCHEMBL7017182 0.74 PDE4A (0.52) MAPTRXFP1PDE4APDE4BPDE4C
SCHEMBL7404803 0.74 AVPR2 (0.52) TP53MAPT
SCHEMBL7019383 0.73 PDE4A (0.55) MAPTPDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed