SCHEMBL7023728

SCHEMBL7023728

COc1cc(C(=O)N2CCCCc3ccccc32)ccc1C(=O)Nc1cccc2[nH]c(CN(C)C)nc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
AVPR2 P30518 5/20 0.44
LMNA P02545 1/20 0.44
AVPR1A P37288 3/20 0.43
OXTR P30559 1/20 0.43
AVPR1B P47901 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK3 Q15120 1/20 0.42
PDK4 Q16654 1/20 0.42
ROCK2 O75116 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
Hydrochloric Acid SCHEMBL7018984 0.99 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL7019798 0.92 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL7012850 0.92 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL7018964 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL7019745 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DAVPR2
Hydrochloric Acid SCHEMBL7017202 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DAVPR2
Hydrochloric Acid SCHEMBL7021030 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DAVPR2
Hydrochloric Acid SCHEMBL7017066 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DAVPR2
Hydrochloric Acid SCHEMBL7014187 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DAVPR2
SCHEMBL7022029 0.91 PDE4A (0.49) PDE4APDE4BPDE4CPDE4DAVPR2

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