SCHEMBL7297231

SCHEMBL7297231

O=C1CCc2cc(NC(=O)C3CCNCC3)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 3/20 0.61
▸ HDAC3 O15379 1/20 0.54
▸ HDAC4 P56524 1/20 0.54
▸ HDAC1 Q13547 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ HDAC8 Q9BY41 1/20 0.54
▸ HDAC6 Q9UBN7 1/20 0.54
▸ HDAC9 Q9UKV0 1/20 0.54
▸ CRBN Q96SW2 1/20 0.50
▸ MAP4K1 Q92918 1/20 0.50
▸ GSK3B P49841 1/20 0.50
▸ ULK1 O75385 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ TP53 P04637 2/20 0.49
▸ KIF11 P52732 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL7294386 0.83 SMYD3 (0.55) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL7295865 0.79 ROCK2 (0.60) SMYD3LMNAGAAKMT2AALDH1A1
SCHEMBL10366740 0.78 HDAC3 (0.61) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL7287369 0.78 TP53 (0.51) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL19710217 0.76 SMYD3 (1.00) SMYD3ULK1
SCHEMBL21489762 0.76 SMYD3 (1.00) SMYD3ULK1
SCHEMBL10365651 0.76 CRBN (0.64) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL7294948 0.76 PRKAB2 (0.56) TP53
SCHEMBL7296573 0.76 SMYD3 (0.46) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL1148082 0.75 TRPV1 (0.66) SMYD3ULK1LMNASMN1; SMN2MEN1

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
US-5306719-A Cardiotonic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 — — US disclosed
EP-0255134-B1 CARBOSTYRIL DERIVATIVES AND SALTS THEREOF, PROCESS FOR PREPARING THEM, AND CARDIOTONIC COMPOSITION CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-03 — — EP disclosed
US-5071856-A CARBOSTYRIL DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-12-10 — — US disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 — — US disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 — — EP disclosed
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