SCHEMBL9034780

SCHEMBL9034780

COc1ccc2c(C3CCN(CCN4C(=O)c5cccc6cccc(c56)C4=O)CC3)c[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.56
SLC6A4 P31645 8/20 0.56
RAD52 P43351 2/20 0.53
DRD2 P14416 6/20 0.51
HTR6 P50406 6/20 0.51
HTR7 P34969 5/20 0.51
HTR2A P28223 5/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL9032917 0.93 SLC6A4 (0.65) HTR1ASLC6A4DRD2HTR6HTR7
SCHEMBL9034110 0.86 KDM4E (0.49) HTR1ASLC6A4RAD52DRD2HTR6
SCHEMBL9034357 0.86 DRD2 (0.60) HTR1ASLC6A4DRD2HTR6HTR7
SCHEMBL9034575 0.86 MEN1 (0.48) HTR1ASLC6A4RAD52DRD2HTR7
SCHEMBL9033141 0.84 HTR2A (0.47) SLC6A4RAD52DRD2HTR7HTR2A
SCHEMBL9034948 0.84 KCNH2 (0.52) HTR1ASLC6A4RAD52DRD2HTR6
SCHEMBL9034241 0.84 HTR7 (0.45) HTR1ASLC6A4RAD52DRD2HTR6
SCHEMBL9033694 0.83 HTR1D (0.52) SLC6A4RAD52DRD2HTR7HTR2A
SCHEMBL9033713 0.82 SLC6A4 (0.51) HTR1ASLC6A4DRD2HTR6HTR7
SCHEMBL9034449 0.81 SLC6A4 (0.49) HTR1ASLC6A4DRD2KMT2A

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