SCHEMBL7309600

SCHEMBL7309600

COc1ccc(C(O)CCN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.53
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
SLC6A4 P31645 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
DRD2 P14416 10/20 0.47
DRD3 P35462 9/20 0.47
HTR1A P08908 3/20 0.45
DRD4 P21917 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNA5 P22460 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CRBN Q96SW2 1/20 0.43

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 SCHEMBL7314392 0.99 KCNH2 (0.52) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL7317050 0.90 KCNH2 (0.48) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL7325908 0.87 KCNH2 (0.47) KCNH2NR3C1PGRSLC6A4PDE3B
Hydrochloric Acid SCHEMBL7318449 0.87 CRBN (0.51) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL11042441 0.85 NR3C1 (0.66) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL7325459 0.85 NR3C1 (0.56) KCNH2NR3C1PGRSLC6A4PDE3B
Hydrochloric Acid SCHEMBL11042650 0.84 DRD3 (0.66) KCNH2NR3C1PGRSLC6A4PDE3B
Hydrochloric Acid SCHEMBL11043902 0.83 KMT2A (0.55) KCNH2NR3C1PGRSLC6A4PDE3B
SCHEMBL11060430 0.83 NR3C1 (0.58) KCNH2NR3C1PGRSLC6A4PDE3B
Hydrochloric Acid SCHEMBL7326137 0.82 HTR2A (0.50) 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