SCHEMBL7322501

SCHEMBL7322501

COc1ccccc1N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 1/20 0.69
▸ PGR P06401 1/20 0.69
▸ SLC6A4 P31645 1/20 0.69
▸ KCNH2 Q12809 1/20 0.69
▸ PDE3B Q13370 1/20 0.69
▸ PDE3A Q14432 1/20 0.69
▸ ALOX15 P16050 1/20 0.62
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ POLB P06746 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ LMNA P02545 3/20 0.59
▸ TSHR P16473 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ MAPT P10636 4/20 0.59
▸ TP53 P04637 1/20 0.59
▸ CRBN Q96SW2 2/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.56

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
SCHEMBL7314377 0.85 CRBN (0.62) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11042336 0.85 NR3C1 (0.84) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL10838441 0.84 HTR1A (0.65) ALOX15KMT2APOLBMAPTDRD2
SCHEMBL11052649 0.83 NR3C1 (0.71) NR3C1PGRSLC6A4KCNH2PDE3B
Vesnarinone SCHEMBL29402965 0.82 PDE3B (1.00) NR3C1PGRSLC6A4KCNH2PDE3B
Vesnarinone SCHEMBL50993 0.82 PDE3B (1.00) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7321881 0.82 NR3C1 (0.56) NR3C1PGRSLC6A4KCNH2PDE3B
Vesnarinone SCHEMBL6243858 0.82 PDE3B (1.00) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7319943 0.82 NR3C1 (0.66) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11042441 0.82 NR3C1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 — — US disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 — — EP disclosed
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