SCHEMBL10568897

SCHEMBL10568897

O=C(O)c1ccc2c(CCCCN3CCC4=C(CCc5ccccc54)C3)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
APEX1 P27695 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR7 P34969 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
PARP1 P09874 1/20 0.49
SIGMAR1 Q99720 4/20 0.48

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
SCHEMBL10568056 0.93 KDM4E (0.61) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL10567316 0.93 KDM4E (0.52) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL10569194 0.86 TDP1 (0.61) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL10564874 0.86 HTR1A (0.53) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL10568834 0.85 ADRA2A (0.52) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL10565610 0.85 HTR1A (0.71) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL10569937 0.85 HTR1A (0.52) HTR1ADRD2HTR2ASLC6A4HTR7
SCHEMBL10568903 0.84 TDP1 (0.54) KDM4EALOX15APEX1KMT2AHSD17B10
SCHEMBL10566753 0.82 HTR1A (0.58) TDP1HTR1ADRD2HTR2ASLC6A4
SCHEMBL10569962 0.82 PARP1 (0.51) 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
US-4824852-A Substituted indole compounds which have useful effects on the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-04-25 US disclosed
US-4740602-A Indole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-04-26 US disclosed
EP-0206225-A2 Indole derivatives MERCK PATENT GmbH (DE) 1986-12-30 EP disclosed