SCHEMBL8181908

SCHEMBL8181908

COc1ccsc1C1=CCN(C[C@@H](N)Cc2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.39
SLC6A3 Q01959 3/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
HTR1A P08908 2/20 0.36
CASP1 P29466 1/20 0.36
HBB P68871 1/20 0.36
DRD2 P14416 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
GNRHR P30968 1/20 0.33
SLC6A2 P23975 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL8177719 1.00 SLC6A4 (0.39) SLC6A4SLC6A3KDM4EMAPTPPARG
SCHEMBL6180652 0.83 PPARG (0.52) SLC6A4SLC6A3KDM4EMAPTPPARG
SCHEMBL8170155 0.73 MEN1 (0.44) SLC6A4SLC6A3DRD2MEN1KMT2A
SCHEMBL8798591 0.69 HTR1A (0.56) SLC6A4KDM4EMAPTPPARGPPARA
Hydrochloric Acid SCHEMBL8957939 0.69 HTR1A (0.55) SLC6A4KDM4EMAPTPPARGPPARA
Hydrochloric Acid SCHEMBL8958128 0.69 HTR1A (0.55) SLC6A4KDM4EMAPTPPARGPPARA
SCHEMBL7793671 0.67 ADRA1D (0.62) SLC6A4MAPTHTR1ADRD2SLC6A2
SCHEMBL8177718 0.67 DRD2 (0.38) KDM4EMAPTPPARGPPARAHTR1A
Hydrochloric Acid SCHEMBL7029018 0.66 ADRA1D (0.61) SLC6A4MAPTHTR1ADRD2SLC6A2
Hydrochloric Acid SCHEMBL7029024 0.66 ADRA1D (0.61) SLC6A4MAPTHTR1ADRD2SLC6A2

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
US-6110943-A AN ANTIPSYCHOTIC AGENT, ANTIDEPRESSANT AND ANXIOLYTIC AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 2000-08-29 US disclosed