SCHEMBL7020992

SCHEMBL7020992

COc1cc(C(=O)N2CC[S+]([O-])Cc3ccccc32)ccc1C(=O)Nc1cccc2[nH]c(C)nc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
AVPR1A P37288 9/20 0.40
AVPR2 P30518 8/20 0.40
ROCK2 O75116 1/20 0.39
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.36
AVPR1B P47901 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7019987 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7024187 0.86 AVPR2 (0.44) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7025547 0.85 AVPR1A (0.39) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7020966 0.85 ROCK2 (0.41) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7016054 0.85 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7019598 0.84 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7017240 0.84 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7023858 0.81 AVPR2 (0.42) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7020435 0.81 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DAVPR1A
SCHEMBL7017226 0.81 AVPR1A (0.45) PDE4APDE4BPDE4CPDE4DAVPR1A

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