SCHEMBL15935968

SCHEMBL15935968

O=C(CCN1CCSc2ccccc2C1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.55
DRD2 P14416 3/20 0.55
HTR2A P28223 3/20 0.55
HTR7 P34969 3/20 0.55
DRD3 P35462 3/20 0.55
HTR2B P41595 3/20 0.55
HRH1 P35367 2/20 0.55
SLC6A4 P31645 1/20 0.55
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 6/20 0.54
RYR2 Q92736 4/20 0.53
GFER P55789 1/20 0.52
MAPT P10636 2/20 0.51
SIGMAR1 Q99720 2/20 0.48
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45

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
SCHEMBL31093171 0.79 HTR1A (0.84) HTR1ADRD2HTR2AHTR7DRD3
SCHEMBL13622143 0.79 RYR2 (0.60) ALDH1A1KMT2ARYR2MAPT
SCHEMBL31093179 0.77 KMT2A (0.71) HTR1ASLC6A4ALDH1A1KMT2AGFER
SCHEMBL13622141 0.75 RYR2 (0.55) ALDH1A1KMT2ARYR2
SCHEMBL16026463 0.75 KMT2A (0.83) HTR1ASLC6A4ALDH1A1KMT2AGFER
SCHEMBL9035245 0.75 KMT2A (0.62) HTR1ASLC6A4ALDH1A1KMT2AGFER
SCHEMBL10623034 0.74 DRD3 (0.59) HTR1ADRD2HTR2AHTR7DRD3
Hydrochloric Acid SCHEMBL7934846 0.73 KMT2A (0.83) HTR1ASLC6A4ALDH1A1KMT2AGFER
SCHEMBL6867057 0.73 RYR2 (0.51) HTR2AHTR2BKMT2ARYR2SIGMAR1
SCHEMBL15936060 0.72 ALDH1A1 (0.58) ALDH1A1RYR2SIGMAR1

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-2764867-A1 Agents for preventing and treating disorders Involving modulation of the RYR receptors The Trustees of Columbia University in the City of New York (US) 2014-08-13 EP claimed