SCHEMBL7370277

SCHEMBL7370277

N#CC(CCN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.48
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
NR3C1 P04150 1/20 0.45
PGR P06401 1/20 0.45
SLC6A4 P31645 1/20 0.45
KCNH2 Q12809 1/20 0.45
HTR2A P28223 3/20 0.45
HTR1A P08908 2/20 0.45
HTR7 P34969 2/20 0.45
DRD3 P35462 2/20 0.45
DRD4 P21917 1/20 0.45
GRIN2B Q13224 2/20 0.44
OGT O15294 6/20 0.42
DRD2 P14416 2/20 0.41
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL7365146 0.99 CRBN (0.48) CRBNPDE3BPDE3ANR3C1PGR
SCHEMBL9807871 0.95 HTR2A (0.47) CRBNPDE3BPDE3ANR3C1PGR
Hydrochloric Acid SCHEMBL7283952 0.94 HTR2A (0.47) CRBNPDE3BPDE3ANR3C1PGR
SCHEMBL7294289 0.86 CRBN (0.51) CRBNPDE3BPDE3ANR3C1PGR
Hydrochloric Acid SCHEMBL7318449 0.86 CRBN (0.51) CRBNPDE3BPDE3ANR3C1PGR
Hydrochloric Acid SCHEMBL7286283 0.85 CRBN (0.50) CRBNPDE3BPDE3ANR3C1PGR
SCHEMBL9310415 0.83 CRBN (0.48) CRBNPDE3BPDE3ANR3C1PGR
Hydrochloric Acid SCHEMBL7326137 0.83 HTR2A (0.50) CRBNPDE3BPDE3ANR3C1PGR
SCHEMBL7287374 0.82 HTR2A (0.49) CRBNPDE3BPDE3ANR3C1PGR
SCHEMBL7315170 0.81 CRBN (0.53) CRBNPDE3BPDE3ANR3C1PGR

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
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed