SCHEMBL11042657

SCHEMBL11042657

CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.59
PGR P06401 1/20 0.59
SLC6A4 P31645 1/20 0.59
KCNH2 Q12809 1/20 0.59
PDE3B Q13370 1/20 0.59
PDE3A Q14432 1/20 0.59
ALDH1A1 P00352 5/20 0.55
CYP2C19 P33261 3/20 0.55
CYP2C9 P11712 1/20 0.55
ALOX15 P16050 1/20 0.55
NPSR1 Q6W5P4 2/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
CRBN Q96SW2 4/20 0.53
GAA P10253 3/20 0.52
LMNA P02545 1/20 0.52

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
Hydrochloric Acid SCHEMBL11044522 0.88 NR3C1 (0.54) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL7351252 0.87 ALDH1A1 (0.72) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11041942 0.86 NR3C1 (0.52) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11044555 0.85 KCNH2 (0.60) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11046347 0.85 NR3C1 (0.62) NR3C1PGRSLC6A4KCNH2PDE3B
Iodide SCHEMBL11041065 0.84 NR3C1 (0.61) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11202004 0.84 PDE3B (0.61) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11045054 0.82 CRBN (0.62) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11042441 0.82 NR3C1 (0.66) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11042336 0.81 NR3C1 (0.84) NR3C1PGRSLC6A4KCNH2PDE3B

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
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed