SCHEMBL7294948

SCHEMBL7294948

COc1ccc(CN2CCC(C(=O)Nc3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 1/20 0.56
▸ PRKAG1 P54619 1/20 0.56
▸ PRKAA2 P54646 1/20 0.56
▸ PRKAA1 Q13131 1/20 0.56
▸ PRKAG3 Q9UGI9 1/20 0.56
▸ PRKAG2 Q9UGJ0 1/20 0.56
▸ PRKAB1 Q9Y478 1/20 0.56
▸ ACKR3 P25106 4/20 0.50
▸ HSP90AA1 P07900 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ LTA4H P09960 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TP53 P04637 2/20 0.47
▸ ACHE P22303 1/20 0.47
▸ CTNNB1 P35222 1/20 0.47
▸ TCF7L2 Q9NQB0 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ POLB P06746 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
SCHEMBL7295865 0.88 ROCK2 (0.60) ACKR3LTA4H
SCHEMBL9313388 0.85 PKM (0.50) LTA4HCYP3A4CYP2C9ACHEPKM
SCHEMBL7287369 0.82 TP53 (0.51) TP53
SCHEMBL11060430 0.77 NR3C1 (0.58) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL7294386 0.76 SMYD3 (0.55) TP53
SCHEMBL9412142 0.76 DRD4 (0.61) PKM
Hydrochloric Acid SCHEMBL11042554 0.76 NR3C1 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL15545214 0.76 ACHE (0.49) CYP3A4CYP2C9ACHEPKM
SCHEMBL7297231 0.76 SMYD3 (0.61) TP53
SCHEMBL7296573 0.74 SMYD3 (0.46) TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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