SCHEMBL7318685

SCHEMBL7318685

CN(c1ccc2c(c1)CCC(=O)N2)C1CCN(CC(=O)c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 2/20 0.49
▸ CRBN Q96SW2 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR7 P34969 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ CHRM3 P20309 1/20 0.38
▸ NPY2R P49146 1/20 0.38

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
Hydrochloric Acid SCHEMBL7307989 0.99 GRIN2B (0.49) GRIN2BCRBNALDH1A1KMT2AHTR1A
SCHEMBL7307710 0.84 LMNA (0.50) KMT2ALMNACHRM3NPY2R
Hydrochloric Acid SCHEMBL7309309 0.79 KDM1A (0.42) GRIN2BKMT2AHTR1ADRD4HTR2A
Hydrochloric Acid SCHEMBL7370551 0.79 TSHR (0.40) CRBNALDH1A1HTR1AHTR2APDE3B
SCHEMBL7288177 0.77 GRIN2B (0.57) GRIN2BCRBNALDH1A1KMT2AHTR1A
Hydrochloric Acid SCHEMBL7371616 0.75 HTR1A (0.47) ALDH1A1HTR1ADRD4HTR2AHTR7
Hydrochloric Acid SCHEMBL7292922 0.74 CHRM2 (0.59) KMT2ALMNACHRM3NPY2R
SCHEMBL9312162 0.74 CYP1A2 (0.45) CRBNALDH1A1PDE3BPDE3A
SCHEMBL7328182 0.74 GRIN2B (0.62) GRIN2BCRBNHTR1ADRD4HTR2A
SCHEMBL9308929 0.72 KDM1A (0.52) HTR1ADRD4HTR2AHTR7DRD3

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 4 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
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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