SCHEMBL11044792

SCHEMBL11044792

Cc1ccc(C(=O)CCN2CCN(C(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.52
PGR P06401 1/20 0.52
SLC6A4 P31645 1/20 0.52
KCNH2 Q12809 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE3A Q14432 1/20 0.52
HTR1A P08908 2/20 0.51
HTR2A P28223 2/20 0.51
HTR7 P34969 2/20 0.51
DRD3 P35462 2/20 0.51
DRD4 P21917 1/20 0.51
CRBN Q96SW2 4/20 0.48
KMT2A Q03164 4/20 0.47
EPHX2 P34913 1/20 0.46
DRD2 P14416 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 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
SCHEMBL7294275 0.91 KMT2A (0.58) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11041436 0.90 KMT2A (0.57) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7286669 0.90 HTR1A (0.51) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7325459 0.89 NR3C1 (0.56) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11041427 0.88 NR3C1 (0.52) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11044555 0.88 KCNH2 (0.60) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL7295612 0.88 KMT2A (0.51) NR3C1PGRSLC6A4KCNH2PDE3B
Hydrochloric Acid SCHEMBL11043902 0.87 KMT2A (0.55) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL11043337 0.87 HTR1A (0.49) NR3C1PGRSLC6A4KCNH2PDE3B
SCHEMBL7341674 0.85 ALDH1A1 (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed