SCHEMBL7325459

SCHEMBL7325459

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.56
PGR P06401 1/20 0.56
SLC6A4 P31645 1/20 0.56
KCNH2 Q12809 1/20 0.56
PDE3B Q13370 1/20 0.56
PDE3A Q14432 1/20 0.56
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
HTT P42858 3/20 0.54
MEN1 O00255 2/20 0.53
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
DRD2 P14416 5/20 0.50
DRD3 P35462 4/20 0.50
GFER P55789 1/20 0.49
HTR1A P08908 3/20 0.49
GLA P06280 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49

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 SCHEMBL11043902 0.98 KMT2A (0.55) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11039493 0.89 NR3C1 (0.57) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11044792 0.89 NR3C1 (0.52) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11042441 0.89 NR3C1 (0.66) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7294275 0.88 KMT2A (0.58) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11042650 0.87 DRD3 (0.66) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11041436 0.87 KMT2A (0.57) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7286669 0.87 HTR1A (0.51) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11060430 0.86 NR3C1 (0.58) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11042554 0.85 NR3C1 (0.57) NR3C1PGRSLC6A4KCNH2PDE3B

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 disclosed
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 disclosed