SCHEMBL11042468

SCHEMBL11042468

N#Cc1ccc(C(=O)N2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.54
▸ PGR P06401 1/20 0.54
▸ SLC6A4 P31645 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ PDE3B Q13370 1/20 0.54
▸ PDE3A Q14432 1/20 0.54
▸ CRBN Q96SW2 5/20 0.54
▸ PDK1 Q15118 1/20 0.46
▸ PDK2 Q15119 1/20 0.46
▸ PDK3 Q15120 1/20 0.46
▸ PDK4 Q16654 1/20 0.46
▸ SLC6A7 Q99884 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ SCN5A Q14524 3/20 0.43
▸ SCN9A Q15858 3/20 0.43
▸ KCNA5 P22460 1/20 0.43
▸ GPR183 P32249 1/20 0.43
▸ SMYD3 Q9H7B4 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43

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
SCHEMBL11192874 0.90 SLC6A4 (0.66) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11044078 0.84 NR3C1 (0.57) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11044555 0.84 KCNH2 (0.60) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11046347 0.84 NR3C1 (0.62) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7286616 0.84 CRBN (0.59) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11045054 0.83 CRBN (0.62) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL7295326 0.83 CRBN (0.58) NR3C1PGRSLC6A4KCNH2PDE3B
Iodide SCHEMBL11041065 0.83 NR3C1 (0.61) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11042649 0.82 CRBN (0.61) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7287200 0.82 CRBN (0.60) 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
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