SCHEMBL8400183

SCHEMBL8400183

CCOc1ccc2cc(C3(O)CCN(CCCOc4cccc5[nH]ccc45)CC3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.43
DRD3 P35462 4/20 0.43
DRD4 P21917 2/20 0.43
HTR1A P08908 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SLC6A4 P31645 2/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CCR1 P32246 2/20 0.40
HRH3 Q9Y5N1 4/20 0.39
SLC6A1 P30531 1/20 0.39
SLC6A12 P48065 1/20 0.39

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
SCHEMBL8398976 0.92 DRD2 (0.53) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8396403 0.92 MEN1 (0.49) DRD2DRD3DRD4HTR1AMEN1
Oxalic Acid SCHEMBL8398992 0.90 DRD2 (0.44) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7883032 0.90 CCR1 (0.48) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8400527 0.90 HTR1A (0.50) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8395683 0.89 CCR1 (0.43) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8397976 0.88 HTR1A (0.45) DRD2DRD3DRD4HTR1AMEN1
Oxalic Acid SCHEMBL8400503 0.88 DRD2 (0.49) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL8396379 0.88 DRD2 (0.44) DRD2DRD3DRD4HTR1AMEN1
SCHEMBL7887491 0.87 HTR1A (0.44) DRD2DRD3DRD4HTR1AMEN1

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-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed