SCHEMBL7021322

SCHEMBL7021322

COc1cc(C(=O)N2CCCCc3cc(C)ccc32)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
ALDH1A1 P00352 4/20 0.55
TSHR P16473 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KDM4E B2RXH2 1/20 0.53
PDK1 Q15118 2/20 0.53
PDK2 Q15119 2/20 0.53
PDK3 Q15120 2/20 0.53
PDK4 Q16654 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.50
THRB P10828 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.47
NR3C1 P04150 1/20 0.47

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
SCHEMBL7019317 0.91 KDM4E (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7024124 0.88 AVPR2 (0.60) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL7018541 0.87 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL14307268 0.85 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7020949 0.83 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7016608 0.81 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7020093 0.81 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7019736 0.80 PDE4A (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7020907 0.80 AVPR1A (0.63) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7027005 0.79 AVPR2 (0.59) PDE4APDE4BPDE4CPDE4DPDK1

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