SCHEMBL9828772

SCHEMBL9828772

Sc1nc2c(OCC3CC3)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.51
PDE4A P27815 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
MCHR1 Q99705 4/20 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
SCHEMBL9306381 0.78 CBFB (0.59) PDE5A
SCHEMBL9828781 0.78 MCHR1 (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL716477 0.74 CBFB (0.54) PDE5AMCHR1
SCHEMBL2485757 0.72 MCHR1 (0.58) PDE5APDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL9052784 0.71 MCHR1 (0.57) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL10485069 0.71 PDE5A (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL13738023 0.70 MCHR1 (0.63) MCHR1
SCHEMBL9828070 0.70 CHEK2 (0.47)
SCHEMBL9828063 0.70 SLC6A2 (0.43) PDE4APDE4D
SCHEMBL13596760 0.69 ADRB3 (0.50) PDE5APDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240158-B1 BENZIMIDAZOLE DERIVATIVES TOKYO TANABE COMPANY LIMITED (JP) 1991-04-03 EP claimed
EP-0240158-A1 Benzimidazole derivatives TOKYO TANABE COMPANY LIMITED (JP) 1987-10-07 EP claimed