SCHEMBL8554060

SCHEMBL8554060

COC(=O)c1ccc2[nH]cc(CCCCN3CC=C(c4c[nH]c5ccc(C(N)=O)cc45)CC3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.63
ALOX15 P16050 1/20 0.63
APEX1 P27695 1/20 0.63
KMT2A Q03164 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ADRA2A P08913 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
HTR1A P08908 1/20 0.55
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54

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
SCHEMBL8555542 0.93 TDP1 (0.71) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8555961 0.91 HTR1A (0.68) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8553115 0.89 TDP1 (0.59) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9582012 0.86 TDP1 (0.80) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8552552 0.86 KDM4E (0.62) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8555864 0.86 KDM4E (0.62) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9581872 0.84 TDP1 (0.84) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9581279 0.83 TDP1 (0.71) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9582285 0.83 TDP1 (0.83) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8871477 0.82 HTR1A (0.63) KDM4EALOX15APEX1KMT2AHSD17B10

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
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed