SCHEMBL7433571

SCHEMBL7433571

CC1(C)CNc2ccc(C3=NNC(=O)CC3)cc21

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 14/20 0.67
PDE3A Q14432 14/20 0.67
PDE4B Q07343 8/20 0.67
PDE4A P27815 7/20 0.67
PDE4C Q08493 7/20 0.67
PDE4D Q08499 7/20 0.67
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43

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
SCHEMBL7483850 0.84 PDE3B (0.70) PDE3BPDE3APDE4BPDE4APDE4C
Indolidan SCHEMBL29605502 0.80 PDE3B (1.00) PDE3BPDE3APDE4BPDE4APDE4C
Indolidan SCHEMBL124043 0.80 PDE3B (1.00) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10518523 0.75 PDE3B (0.90) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL7636343 0.75 PDE3B (0.64) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL9371306 0.74 PDE3B (0.60) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10595977 0.73 PDE3B (0.64) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10520070 0.73 PDE3B (1.00) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL9372484 0.73 PDE3B (0.62) PDE3BPDE3APDE4BPDE4APDE4C
SCHEMBL10517412 0.73 PDE3B (1.00) PDE3BPDE3APDE4BPDE4APDE4C

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
US-4647564-A PYRIDAZINONE DERIVATIVES ELI LILLY AND COMPANY (US) 1987-03-03 US disclosed
EP-0161918-A2 Indoline and 2-indolinone derivatives ELI LILLY AND COMPANY (US) 1985-11-21 EP disclosed