SCHEMBL7295865

SCHEMBL7295865

O=C1CCc2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.60
▸ ROCK1 Q13464 3/20 0.60
▸ LMNA P02545 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMYD3 Q9H7B4 2/20 0.50
▸ LTA4H P09960 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ ACKR3 P25106 4/20 0.48
▸ CCR3 P51677 1/20 0.48

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
SCHEMBL7287369 0.88 TP53 (0.51) ROCK2ROCK1LMNAKMT2ASMYD3
SCHEMBL7294948 0.88 PRKAB2 (0.56) LTA4HACKR3
SCHEMBL7296573 0.84 SMYD3 (0.46) ROCK2ROCK1LMNAKMT2ASMYD3
SCHEMBL7374128 0.83 LMNA (0.58) ROCK2ROCK1LMNAKMT2ALTA4H
SCHEMBL7294386 0.82 SMYD3 (0.55) LMNAKMT2ASMYD3ALDH1A1GAA
SCHEMBL7297231 0.79 SMYD3 (0.61) LMNAKMT2ASMYD3ALDH1A1GAA
SCHEMBL2571386 0.75 ROCK2 (1.00) ROCK2ROCK1CCR3
SCHEMBL11040553 0.75 MEN1 (0.62) LMNAKMT2AALDH1A1
SCHEMBL8094101 0.74 POLB (0.65) ROCK2ROCK1KMT2AACKR3CCR3
Hydrochloric Acid SCHEMBL7292922 0.74 CHRM2 (0.59) LMNAKMT2A

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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