SCHEMBL8390331

SCHEMBL8390331

CCCCCCCCOc1cc2c(c(F)n1)C(=O)CCC2c1ncccc1OCCCCCCCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.34
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
HTR3E A5X5Y0 2/20 0.34
HTR3B O95264 2/20 0.34
HTR3A P46098 2/20 0.34
HTR3D Q70Z44 2/20 0.34
HTR3C Q8WXA8 2/20 0.34
GPR84 Q9NQS5 1/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
PTPN1 P18031 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
IKBKB O14920 2/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL8394574 0.85 PDE5A (0.37) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8390797 0.82 FFAR4 (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8479287 0.80 PDE5A (0.34) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8294020 0.66 THRA (0.38) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8298265 0.66 THRA (0.41) GPR84LMNAMAPTCNR2
SCHEMBL8301428 0.65 THRA (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8298273 0.65 GPR84 (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8392350 0.65 PDE5A (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8908095 0.64 MEN1 (0.37) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL8362085 0.63 PDE5A (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5874023-A ELECTROOPTICS, DISPLAYS HOECHST AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed