SCHEMBL8555961

SCHEMBL8555961

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

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.68
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
DRD2 P14416 2/20 0.56
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55
SLC6A4 P31645 1/20 0.55

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
SCHEMBL8553115 0.93 TDP1 (0.59) HTR1AKDM4EALOX15APEX1KMT2A
SCHEMBL8554060 0.91 KDM4E (0.63) HTR1AKDM4EALOX15APEX1KMT2A
SCHEMBL8553783 0.91 HTR1A (0.81) HTR1ADRD2SLC6A4
SCHEMBL8871477 0.89 HTR1A (0.63) HTR1AKDM4EALOX15APEX1KMT2A
SCHEMBL8558887 0.88 HTR1A (0.73) HTR1ATDP1DRD2SLC6A4
SCHEMBL9582012 0.86 TDP1 (0.80) HTR1AKDM4EALOX15APEX1KMT2A
SCHEMBL8554084 0.86 HTR1A (0.78) HTR1ADRD2
SCHEMBL8555542 0.84 TDP1 (0.71) HTR1AKDM4EALOX15APEX1KMT2A
SCHEMBL8553977 0.84 HTR1A (0.70) HTR1ADRD2SLC6A4
SCHEMBL9581509 0.83 TDP1 (0.79) HTR1AKDM4EALOX15APEX1KMT2A

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