SCHEMBL7019736

SCHEMBL7019736

COc1cc(C(=O)N2CCCCc3cccc(C)c32)ccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4C Q08493 1/20 0.52
PDE4D Q08499 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 3/20 0.44
PTGER4 P35408 1/20 0.44
PTGER2 P43116 1/20 0.44
AVPR1A P37288 3/20 0.44
AVPR1B P47901 1/20 0.44
RXRA P19793 1/20 0.43
AVPR2 P30518 4/20 0.42
OXTR P30559 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MEN1 O00255 1/20 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
SCHEMBL7022689 0.91 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7018541 0.84 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7103141 0.80 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7021322 0.80 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7023875 0.79 AVPR1A (0.44) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
Hydrochloric Acid SCHEMBL7022478 0.78 AVPR1A (0.43) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL2703266 0.78 L3MBTL1 (0.47) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7024124 0.77 AVPR2 (0.60) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7016608 0.76 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7017957 0.76 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DSMN1; SMN2

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