SCHEMBL7103141

SCHEMBL7103141

COc1cc(C(=O)N2CCCCc3cccnc32)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
HDAC6 Q9UBN7 2/20 0.51
CRBN Q96SW2 2/20 0.47
LMNA P02545 1/20 0.46
AVPR1A P37288 4/20 0.44
AVPR2 P30518 3/20 0.44
OXTR P30559 3/20 0.44
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AVPR1B P47901 1/20 0.40
ROCK2 O75116 1/20 0.39

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
SCHEMBL7148650 0.91 HDAC6 (0.52) PDE4APDE4BPDE4CPDE4DHDAC6
SCHEMBL7556961 0.90 CRBN (0.46) PDE4APDE4BPDE4CPDE4DHDAC6
SCHEMBL7018541 0.83 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7022861 0.81 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DHDAC6
SCHEMBL7019736 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7016608 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7020949 0.80 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7016731 0.79 HDAC6 (0.45) PDE4APDE4BPDE4CPDE4DHDAC6
Hydrochloric Acid SCHEMBL7027051 0.78 HDAC6 (0.45) PDE4APDE4BPDE4CPDE4DHDAC6
SCHEMBL7021322 0.77 PDE4A (0.55) 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 2 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