SCHEMBL8106669

SCHEMBL8106669

CN1C2C=C(c3c[nH]c4cc(F)ccc34)CC1CC2

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.70
SLC6A2 P23975 4/20 0.70
SLC6A3 Q01959 4/20 0.70
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
TDO2 P48775 7/20 0.45
HTR6 P50406 1/20 0.44
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.41

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
SCHEMBL8106666 1.00 SLC6A4 (0.70) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL2883041 0.76 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL2883039 0.76 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL1122235 0.74 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL1122233 0.74 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3NOS3NOS1
SCHEMBL1335541 0.72 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR6
SCHEMBL5850045 0.71 MAPK14 (0.60) SLC6A4SLC6A2SLC6A3
SCHEMBL6553682 0.71 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL5830039 0.71 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3HTR6HTR1A
SCHEMBL6497949 0.71 TDO2 (0.46) SLC6A4TDO2

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
US-6107307-A PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY (US) 2000-08-22 US disclosed
EP-0969005-A1 Azabicyclic inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 2000-01-05 EP disclosed