SCHEMBL9033650

SCHEMBL9033650

O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCC(c2c[nH]c3cccc(F)c23)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAD52 P43351 1/20 0.47
HTR7 P34969 2/20 0.45
HTR2A P28223 1/20 0.45
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HTR1A P08908 1/20 0.44
SLC6A4 P31645 1/20 0.44
DRD2 P14416 1/20 0.44
HTR6 P50406 1/20 0.44
MAPK1 P28482 1/20 0.44
AHR P35869 1/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9034861 0.88 KDM4E (0.47) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL9035121 0.87 HTR7 (0.41) HTR7HTR2AHTR1ASLC6A4
SCHEMBL9035214 0.87 MEN1 (0.47) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL9035288 0.85 RAD52 (0.52) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL9033610 0.85 MEN1 (0.45) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL9034395 0.85 RAD52 (0.56) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL9033683 0.83 SLC6A4 (0.64) HTR7HTR2AHTR1ASLC6A4DRD2
SCHEMBL9034357 0.83 DRD2 (0.60) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL9035432 0.82 KMT2A (0.51) KDM4EALDH1A1MAPTLMNAHPGD
SCHEMBL9034877 0.80 MEN1 (0.51) KDM4EALDH1A1MAPTLMNAHPGD

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-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP claimed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 EP disclosed