SCHEMBL31473121

SCHEMBL31473121

CC1CC(=O)NN=C1c1ccc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 12/20 0.63
▸ PDE3A Q14432 12/20 0.63
▸ MAPT P10636 2/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ PDE4A P27815 1/20 0.47
▸ PDE4B Q07343 1/20 0.47
▸ PDE4C Q08493 1/20 0.47
▸ PDE4D Q08499 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ADRB2 P07550 1/20 0.44
▸ GPR119 Q8TDV5 3/20 0.44
▸ PDE2A O00408 1/20 0.44
▸ PDE1A P54750 1/20 0.44
▸ PDE1B Q01064 1/20 0.44
▸ PDE1C Q14123 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL21970679 0.78 PDE3B (1.00) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL16157015 0.78 PDE3B (1.00) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL16156987 0.77 PDE3B (0.79) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL16157210 0.76 PDE3B (1.00) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL16156997 0.76 PDE3B (1.00) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL16156966 0.76 PDE3B (1.00) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL16157209 0.74 MAPT (0.67) PDE3BPDE3AMAPTKDM4EALDH1A1
SCHEMBL11268997 0.74 PDE3B (0.62) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL7296342 0.73 PDE3B (0.61) PDE3BPDE3AMAPTPDE4APDE4B
SCHEMBL16157002 0.73 PDE3B (0.61) PDE3BPDE3AMAPTPDE4APDE4B

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
CN-119738466-A Reagent for analyzing dimethyl bipyridine molecular isomer, preparation method and analysis method thereof 宁波大学 2025-04-01 — — CN disclosed
Send feedback