SCHEMBL7374128

SCHEMBL7374128

O=C1CCc2cc(NC3CCN(Cc4ccccc4)CC3)ccc2N1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ ROCK2 O75116 4/20 0.55
▸ ROCK1 Q13464 3/20 0.55
▸ CCR2 P41597 2/20 0.55
▸ MAOA P21397 5/20 0.51
▸ MAOB P27338 5/20 0.51
▸ PDK2 Q15119 1/20 0.51
▸ ACHE P22303 3/20 0.50
▸ BCHE P06276 2/20 0.50
▸ KIF11 P52732 1/20 0.49
▸ MALT1 Q9UDY8 1/20 0.48
▸ LTA4H P09960 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 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
SCHEMBL9313388 0.87 PKM (0.50) LMNAKMT2AROCK2ROCK1CCR2
SCHEMBL7295865 0.83 ROCK2 (0.60) LMNAKMT2AROCK2ROCK1LTA4H
SCHEMBL7364603 0.79 CA12 (0.58) LMNAKIF11KDM1A
SCHEMBL918426 0.77 KDM4E (0.66) KMT2AROCK2ROCK1CCR2ACHE
SCHEMBL7307710 0.77 LMNA (0.50) LMNAKMT2AMAOAMAOBACHE
SCHEMBL11040553 0.76 MEN1 (0.62) LMNAKMT2AKDM4E
SCHEMBL5405680 0.75 ROCK2 (0.62) ROCK2ROCK1CCR2PDK2ACHE
SCHEMBL7366835 0.75 NPY2R (0.49) LMNAKMT2AMAOAMAOBACHE
SCHEMBL924357 0.74 ACHE (0.68) LMNAKMT2AROCK2ROCK1CCR2
SCHEMBL7296357 0.74 ROCK2 (0.61) ROCK2ROCK1CCR2PDK2ACHE

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-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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