SCHEMBL8498282

SCHEMBL8498282

COc1cc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.81
PDE3A Q14432 2/20 0.81
NR3C1 P04150 1/20 0.81
PGR P06401 1/20 0.81
SLC6A4 P31645 1/20 0.81
KCNH2 Q12809 1/20 0.81
POLB P06746 1/20 0.53
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
GLA P06280 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPK1 P28482 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
SCHEMBL8499623 0.92 PDE3B (0.69) PDE3BPDE3ANR3C1PGRSLC6A4
Vesnarinone SCHEMBL29402965 0.90 PDE3B (1.00) PDE3BPDE3ANR3C1PGRSLC6A4
Vesnarinone SCHEMBL6243858 0.90 PDE3B (1.00) PDE3BPDE3ANR3C1PGRSLC6A4
Vesnarinone SCHEMBL50993 0.90 PDE3B (1.00) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL11052649 0.89 NR3C1 (0.71) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL11202820 0.85 NR3C1 (0.78) PDE3BPDE3ANR3C1PGRSLC6A4
Vesnarinone SCHEMBL4221551 0.85 PDE3B (0.89) PDE3BPDE3ANR3C1PGRSLC6A4
Water SCHEMBL11200345 0.84 NR3C1 (0.76) PDE3BPDE3ANR3C1PGRSLC6A4
Water SCHEMBL11200349 0.84 NR3C1 (0.76) PDE3BPDE3ANR3C1PGRSLC6A4
SCHEMBL7269908 0.84 SLC6A4 (0.78) PDE3BPDE3ANR3C1PGRSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0552373-B1 APOPTOSIS REGULATOR OTSUKA PHARMA CO LTD (JP) 1999-10-13 EP disclosed
US-5658912-A 6-(4-(3,4-DIMETHOXYBENZOYL)-1-PIPERAZINYL)CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
US-5543412-A ADMINISTERING A BENZOYL PIPERAZIN QUINOLINS VIRICIDES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-08-06 US disclosed
EP-0552373-A1 APOPTOSIS REGULATOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-28 EP disclosed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed