SCHEMBL8552552

SCHEMBL8552552

N#Cc1ccc2[nH]cc(C3=CCN(CCCCc4c[nH]c5ccc(C(N)=O)cc45)CC3)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
ALOX15 P16050 1/20 0.62
APEX1 P27695 1/20 0.62
KMT2A Q03164 1/20 0.62
HSD17B10 Q99714 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
SLC6A4 P31645 3/20 0.57
HTR1A P08908 4/20 0.54
ADRB2 P07550 1/20 0.54
ADRA2A P08913 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2C P18825 1/20 0.54
DRD4 P21917 1/20 0.54
SLC6A2 P23975 1/20 0.54
FPR3 P25089 1/20 0.54
ADRA1D P25100 1/20 0.54
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
GPR183 P32249 1/20 0.54
HTR7 P34969 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
SCHEMBL8555864 1.00 KDM4E (0.62) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8555542 0.93 TDP1 (0.71) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9229535 0.91 SLC6A4 (0.64) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8871408 0.89 TDP1 (0.58) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8554060 0.86 KDM4E (0.63) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9581872 0.83 TDP1 (0.84) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9582285 0.82 TDP1 (0.83) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9581279 0.82 TDP1 (0.71) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9581909 0.81 HTR1A (0.74) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL9581828 0.80 TDP1 (0.80) 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