SCHEMBL11201045

SCHEMBL11201045

Nc1ccc(C(=O)N2CCN(c3ccc4c(c3)CCC(=O)N4)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.69
PDE3B Q13370 2/20 0.69
PDE3A Q14432 2/20 0.69
NR3C1 P04150 1/20 0.69
PGR P06401 1/20 0.69
KCNH2 Q12809 1/20 0.69
CRBN Q96SW2 6/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HTR1A P08908 1/20 0.46
SYK P43405 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 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
SCHEMBL7269908 0.91 SLC6A4 (0.78) SLC6A4PDE3BPDE3ANR3C1PGR
SCHEMBL9412170 0.89 KCNH2 (0.69) SLC6A4PDE3BPDE3ANR3C1PGR
SCHEMBL11202877 0.89 SLC6A4 (0.69) SLC6A4PDE3BPDE3ANR3C1PGR
SCHEMBL11200206 0.88 PDE3B (0.69) SLC6A4PDE3BPDE3ANR3C1PGR
SCHEMBL7267767 0.86 SLC6A4 (0.72) SLC6A4PDE3BPDE3ANR3C1PGR
SCHEMBL11202820 0.86 NR3C1 (0.78) SLC6A4PDE3BPDE3ANR3C1PGR
SCHEMBL9128429 0.86 SLC6A4 (0.68) SLC6A4PDE3BPDE3ANR3C1PGR
SCHEMBL11192874 0.86 SLC6A4 (0.66) SLC6A4PDE3BPDE3ANR3C1PGR
Water SCHEMBL11200345 0.85 NR3C1 (0.76) SLC6A4PDE3BPDE3ANR3C1PGR
SCHEMBL11197536 0.85 NR3C1 (0.64) SLC6A4PDE3BPDE3ANR3C1PGR

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-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US claimed
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed