SCHEMBL9693701

SCHEMBL9693701

COc1ccc(C(=O)N2CCN(c3ccc4nc5[nH]c(=O)[nH]c5cc4c3)CC2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 1.00
PDE3A Q14432 13/20 1.00
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
SLC6A4 P31645 1/20 0.56
KCNH2 Q12809 1/20 0.56
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
NAMPT P43490 1/20 0.49
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL9693445 0.83 PDE3B (1.00) PDE3BPDE3A
SCHEMBL7380497 0.80 PDE3B (0.66) PDE3BPDE3ATSHR
SCHEMBL9691872 0.80 PDE3B (0.78) PDE3BPDE3A
SCHEMBL7034123 0.80 PDE3B (0.66) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL9692011 0.79 PDE3B (1.00) PDE3BPDE3A
SCHEMBL8500022 0.79 PDE3B (0.65) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL9691758 0.75 PDE3B (1.00) PDE3BPDE3A
SCHEMBL9693383 0.75 PDE3B (1.00) PDE3BPDE3A
SCHEMBL9692111 0.74 PDE3B (1.00) PDE3BPDE3A
SCHEMBL9693319 0.74 PDE3B (1.00) PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252503-B1 AMINOIMIDAZOQUINOLINE DERIVATIVES Bristol-Myers Squibb Company (US) 1992-11-19 EP claimed
US-4701459-A 7-amino-1,3-dihydro-2H-imidazo[4,5-b]quinolin 2-ones and method for inhibiting phosphodiesterase and blood platelet aggregation BRISTOL-MYERS COMPANY (US) 1987-10-20 US claimed
EP-0252503-B1 AMINOIMIDAZOQUINOLINE DERIVATIVES Bristol-Myers Squibb Company (US) 1992-11-19 EP disclosed
US-4701459-A 7-amino-1,3-dihydro-2H-imidazo[4,5-b]quinolin 2-ones and method for inhibiting phosphodiesterase and blood platelet aggregation BRISTOL-MYERS COMPANY (US) 1987-10-20 US disclosed