SCHEMBL9033694

SCHEMBL9033694

NC(=O)c1ccc2c(C3CCN(CCN4C(=O)c5cccc6cccc(c56)C4=O)CC3)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 4/20 0.52
HTR1B P28222 3/20 0.52
RAD52 P43351 1/20 0.51
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HTR7 P34969 2/20 0.45
HTR2A P28223 1/20 0.45
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
AHR P35869 1/20 0.43
RECQL P46063 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DRD2 P14416 1/20 0.43
SLC6A4 P31645 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
SCHEMBL9034645 0.93 RAD52 (0.51) HTR1DHTR1BRAD52MAPTLMNA
SCHEMBL9033141 0.92 HTR2A (0.47) HTR1DHTR1BRAD52MAPTLMNA
SCHEMBL9034575 0.89 MEN1 (0.48) HTR1DRAD52MAPTLMNAKDM4E
SCHEMBL9036825 0.87 MEN1 (0.49) HTR1DRAD52MAPTLMNAKDM4E
SCHEMBL9034110 0.85 KDM4E (0.49) RAD52MAPTLMNAKDM4EALDH1A1
SCHEMBL9034357 0.85 DRD2 (0.60) HTR1DHTR1BMAPTLMNAKDM4E
SCHEMBL9033765 0.85 HTR1D (0.49) HTR1DHTR1BRAD52MAPTLMNA
SCHEMBL9034780 0.83 HTR1A (0.56) RAD52LMNAKDM4EALDH1A1KMT2A
SCHEMBL9034241 0.83 HTR7 (0.45) RAD52MAPTKDM4ERAB9AMEN1
SCHEMBL9034948 0.83 KCNH2 (0.52) RAD52KDM4EMEN1KMT2AHTR7

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 1 patent. claimed = in the patent's claims; disclosed = body only.

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