SCHEMBL6992874

SCHEMBL6992874

COc1cc(C(=O)N2CCCC(=O)c3ccccc32)ccc1CC(=O)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 9/20 0.53
CD274 Q9NZQ7 9/20 0.53
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
AVPR2 P30518 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL6988600 0.89 GAA (0.52)
SCHEMBL6991997 0.88 AVPR2 (0.59) PDCD1CD274AVPR2
Hydrochloric Acid SCHEMBL6994116 0.80 PDCD1 (0.48) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL6992001 0.80 AVPR1A (0.50) AVPR2
SCHEMBL7021778 0.80 PDE4A (0.59) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL7019627 0.80 PDE4A (0.59) PDCD1CD274PDE4APDE4BPDE4C
SCHEMBL25561797 0.77 PDE4A (0.61) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL31399210 0.76 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL31399227 0.76 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6995083 0.76 AVPR2 (0.58) AVPR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709386-B1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMA CO LTD (JP) 2003-05-07 EP disclosed
EP-1097920-A1 Intermediate for condensed benzazepine derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2001-05-09 EP disclosed
EP-0709386-A1 FUSED BENZAZEPINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-05-01 EP disclosed