SCHEMBL7325908

SCHEMBL7325908

CSc1ccc(C(O)CCN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
SLC6A4 P31645 1/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CRBN Q96SW2 4/20 0.43
HTR2A P28223 3/20 0.40
HTR1A P08908 2/20 0.40
DRD4 P21917 1/20 0.40
HTR7 P34969 1/20 0.40
DRD3 P35462 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
DRD2 P14416 2/20 0.39
GRIN2B Q13224 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
PRLHR P49683 2/20 0.38
PARP1 P09874 1/20 0.38
HPGD P15428 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
SCHEMBL7317050 0.90 KCNH2 (0.48) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL7309600 0.87 KCNH2 (0.53) KCNH2NR3C1PGRSLC6A4PDE3B
Hydrochloric Acid SCHEMBL7318449 0.87 CRBN (0.51) KCNH2NR3C1PGRSLC6A4PDE3B
Hydrochloric Acid SCHEMBL7314392 0.86 KCNH2 (0.52) KCNH2NR3C1PGRSLC6A4PDE3B
Hydrochloric Acid SCHEMBL7326137 0.82 HTR2A (0.50) KCNH2NR3C1PGRSLC6A4PDE3B
Hydrochloric Acid SCHEMBL11042174 0.82 SMN1; SMN2 (0.57) KCNH2NR3C1PGRSLC6A4PDE3B
Hydrochloric Acid SCHEMBL11039319 0.81 NR3C1 (0.53) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL7325917 0.79 KCNH2 (0.46) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL7315170 0.78 CRBN (0.53) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL11046347 0.78 NR3C1 (0.62) KCNH2NR3C1PGRSLC6A4PDE3B

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-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US claimed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP claimed