SCHEMBL7019219

SCHEMBL7019219

COc1cc(C(=O)N2CCOCc3ccccc32)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
LMNA P02545 1/20 0.50
ROCK2 O75116 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 3/20 0.45
PRMT5 O14744 1/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL7020707 0.91 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7018541 0.83 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7023524 0.82 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7020925 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7012627 0.79 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7020966 0.77 ROCK2 (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL17560174 0.77 KMT2A (0.66) SMN1; SMN2RAB9AALDH1A1PRMT5KMT2A
SCHEMBL7020957 0.76 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7021778 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7022539 0.74 AVPR1A (0.53) PDE4APDE4BPDE4CPDE4DLMNA

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