SCHEMBL7019784

SCHEMBL7019784

C=C1CCCN(C(=O)c2ccc(C(=O)OC)c(OC)c2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.57
PDE4B Q07343 1/20 0.57
PDE4C Q08493 1/20 0.57
PDE4D Q08499 1/20 0.57
LMNA P02545 1/20 0.52
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 3/20 0.47
AVPR1A P37288 1/20 0.46
AVPR1B P47901 1/20 0.46
PDCD1 Q15116 4/20 0.45
CD274 Q9NZQ7 4/20 0.45
ROCK2 O75116 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7016844 0.92 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7019627 0.89 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7024013 0.83 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7021778 0.81 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7016285 0.79 AVPR1A (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7015298 0.79 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7017182 0.79 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7020943 0.79 AVPR1A (0.55) PDE4APDE4BPDE4CPDE4DLMNA
Hydrochloric Acid SCHEMBL7018912 0.79 AVPR1A (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7021672 0.78 BRD4 (0.59) 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