SCHEMBL7018541

SCHEMBL7018541

COc1cc(C(=O)N2CCCCc3ccccc32)ccc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.73
PDE4B Q07343 1/20 0.73
PDE4C Q08493 1/20 0.73
PDE4D Q08499 1/20 0.73
LMNA P02545 1/20 0.67
TSHR P16473 3/20 0.61
ALDH1A1 P00352 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
AVPR2 P30518 8/20 0.60
AVPR1A P37288 8/20 0.60
OXTR P30559 3/20 0.60

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
SCHEMBL7024013 0.90 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7021322 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7024124 0.86 AVPR2 (0.60) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7353031 0.85 PDE4A (0.75) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7020949 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7016608 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL29941834 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7019736 0.84 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7021778 0.83 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7023524 0.83 PDE4A (0.56) 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