SCHEMBL8557793

SCHEMBL8557793

O=C(O)c1ccc2[nH]cc(CCCCN3CCC(c4c[nH]c5ccc(C(=O)O)cc45)CC3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALOX15 P16050 1/20 0.59
APEX1 P27695 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
HTR7 P34969 1/20 0.58
HTR1D P28221 7/20 0.57
HTR1B P28222 5/20 0.57
CHRM2 P08172 1/20 0.57
DRD2 P14416 1/20 0.57

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
SCHEMBL8554831 0.97 HTR7 (0.61) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8560920 0.95 HTR7 (0.65) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8560715 0.94 HTR7 (0.64) HTR7HTR1DHTR1BCHRM2DRD2
SCHEMBL27431034 0.93 HTR1A (0.57) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8556927 0.92 HTR7 (0.68) HTR7HTR1DHTR1BCHRM2DRD2
SCHEMBL8557795 0.92 KDM4E (0.52) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL8558340 0.92 HTR1A (0.60) HTR7DRD2
SCHEMBL8559489 0.92 HTR1A (0.60) HTR7DRD2
SCHEMBL8554971 0.91 HTR7 (0.66) HTR7
SCHEMBL8554833 0.89 HTR7 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1047385-C 3-indolylpiperidine MERCK PATENT GMBH (DE) 1999-12-15 CN disclosed
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