SCHEMBL7027005

SCHEMBL7027005

COC(=O)c1ccc(C(=O)N2CCCCc3cc(Cl)ccc32)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.59
HDAC1 Q13547 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAPT P10636 2/20 0.54
PDE4A P27815 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53
PDE4D Q08499 1/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
NR3C1 P04150 3/20 0.50
AVPR1A P37288 1/20 0.50
IDO1 P14902 2/20 0.49
KCNH2 Q12809 2/20 0.49
TP53 P04637 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL7024124 0.91 AVPR2 (0.60) AVPR2HDAC1HDAC6MAPTPDE4A
SCHEMBL7019317 0.89 KDM4E (0.55) PDE4APDE4BPDE4CPDE4DPDK1
SCHEMBL7245141 0.86 AVPR2 (0.62) AVPR2HDAC1HDAC6MAPTPDE4A
SCHEMBL7024013 0.86 PDE4A (0.72) AVPR2MAPTPDE4APDE4BPDE4C
SCHEMBL7022992 0.85 AVPR2 (0.61) AVPR2HDAC1HDAC6MAPTPDE4A
SCHEMBL7246261 0.84 AVPR2 (0.59) AVPR2HDAC1HDAC6MAPTPDE4A
SCHEMBL7013290 0.83 PDE4A (0.53) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7017018 0.82 AVPR2 (0.54) AVPR2HDAC1HDAC6MAPTPDE4A
SCHEMBL7019421 0.81 PDE4A (0.53) AVPR2PDE4APDE4BPDE4CPDE4D
SCHEMBL7021322 0.79 PDE4A (0.55) AVPR2PDE4APDE4BPDE4CPDE4D

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