SCHEMBL7294386

SCHEMBL7294386

O=CN1CCC(C(=O)Nc2ccc3c(c2)CCC(=O)N3)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.55
▸ TP53 P04637 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ GAA P10253 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ MAP4K1 Q92918 1/20 0.47
▸ GSK3B P49841 1/20 0.47

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
SCHEMBL7297231 0.83 SMYD3 (0.61) SMYD3TP53LMNAMEN1THRB
SCHEMBL7295865 0.82 ROCK2 (0.60) SMYD3LMNAKMT2AGAAALDH1A1
SCHEMBL7296573 0.80 SMYD3 (0.46) SMYD3TP53LMNAMEN1THRB
SCHEMBL7287369 0.79 TP53 (0.51) SMYD3TP53LMNAMEN1THRB
SCHEMBL7294948 0.76 PRKAB2 (0.56) TP53
SCHEMBL23143564 0.74 SMYD3 (0.68) SMYD3TP53LMNAGAA
SCHEMBL16413790 0.74 HDAC3 (0.47) SMYD3TP53LMNAHDAC3HDAC4
SCHEMBL10366740 0.73 HDAC3 (0.61) SMYD3HDAC3HDAC4HDAC1HDAC2
SCHEMBL10365448 0.72 MAP4K1 (0.65) TP53HDAC3HDAC4HDAC1HDAC2
SCHEMBL14626222 0.72 L3MBTL1 (0.63) TP53LMNATHRBKMT2ASMN1; SMN2

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
Send feedback