SCHEMBL7023245

SCHEMBL7023245

COC(=O)c1ccc(C(=O)N2CC(C)(C)c3ccccc32)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CNR2 P34972 1/20 0.42
PDCD1 Q15116 3/20 0.41
CD274 Q9NZQ7 3/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40

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
SCHEMBL7020647 0.90 NOTUM (0.50) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL7019627 0.75 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL7024013 0.75 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7021672 0.74 BRD4 (0.59) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL7019383 0.74 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7023914 0.74 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL7017182 0.73 PDE4A (0.52) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL7020943 0.73 AVPR1A (0.55) NOTUMPDE4APDE4BPDE4CPDE4D
SCHEMBL7019784 0.73 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DPDCD1
SCHEMBL7019763 0.73 PDE4A (0.54) PDE4APDE4BPDE4CPDE4DPDCD1

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