SCHEMBL9404530

SCHEMBL9404530

Fc1cccc2c1c(N1CCSCC1)nc1c(-c3nc(C4CC4)no3)ncn12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
PDE4D Q08499 4/20 0.36
HTR4 Q13639 2/20 0.35
CHRM3 P20309 4/20 0.31
OPRK1 P41145 3/20 0.31
CHRM1 P11229 1/20 0.31
POLB P06746 1/20 0.31
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
CYP2D6 P10635 1/20 0.31
KCNH2 Q12809 1/20 0.31
RORC P51449 1/20 0.30
USP7 Q93009 1/20 0.30

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
SCHEMBL9404451 0.90 OPRK1 (0.37) PDE4APDE4BPDE4CPDE4DHTR4
SCHEMBL9404361 0.89 HTR4 (0.35) PDE4APDE4BPDE4CPDE4DHTR4
SCHEMBL9430240 0.89 HRH4 (0.39) HTR4OPRK1CYP2D6KCNH2USP7
SCHEMBL9429534 0.89 SCN3A (0.34) PDE4APDE4BPDE4CPDE4DHTR4
SCHEMBL7327494 0.86 HTR4 (0.42) PDE4APDE4BPDE4CPDE4DHTR4
SCHEMBL9429862 0.85 HTR4 (0.34) HTR4CHRM3OPRK1CHRM1POLB
SCHEMBL9429875 0.85 HTR4 (0.34) HTR4CHRM3OPRK1CHRM1POLB
SCHEMBL9404458 0.82 HTR4 (0.35) HTR4CHRM3CHRM1POLBCASP3
SCHEMBL9404462 0.82 HTR4 (0.35) HTR4CHRM3CHRM1POLBCASP3
SCHEMBL9404434 0.80 HTR4 (0.34) HTR4OPRK1CYP2D6KCNH2

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-0619820-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-10-19 EP claimed
WO-1993013103-A1 IMIDAZOQUINAZOLINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-07-08 WO claimed
US-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed