SCHEMBL11043935

SCHEMBL11043935

O=CN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 8/20 0.59
▸ NR3C1 P04150 1/20 0.56
▸ PGR P06401 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ PDE3B Q13370 1/20 0.56
▸ PDE3A Q14432 1/20 0.56
▸ AKR1C1 Q04828 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.45
▸ SMYD3 Q9H7B4 1/20 0.45
▸ PARP1 P09874 1/20 0.44
▸ HTR1A P08908 1/20 0.43
▸ DRD4 P21917 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ GRIN2B Q13224 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42

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
SCHEMBL11046347 0.86 NR3C1 (0.62) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL11045054 0.85 CRBN (0.62) CRBNNR3C1PGRSLC6A4KCNH2
Iodide SCHEMBL11041065 0.85 NR3C1 (0.61) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL7287200 0.84 CRBN (0.60) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL11042649 0.84 CRBN (0.61) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL11044555 0.84 KCNH2 (0.60) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL11044078 0.84 NR3C1 (0.57) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL7286616 0.83 CRBN (0.59) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL7319943 0.83 NR3C1 (0.66) CRBNNR3C1PGRSLC6A4KCNH2
SCHEMBL7269908 0.82 SLC6A4 (0.78) CRBNNR3C1PGRSLC6A4KCNH2

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
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