SCHEMBL8400527

SCHEMBL8400527

CC(C)Oc1ccc2cc(C3(O)CCN(CCCOc4cccc5[nH]ccc45)CC3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.50
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
DRD4 P21917 2/20 0.41
HTR1B P28222 1/20 0.40
HRH3 Q9Y5N1 3/20 0.38
SLC6A1 P30531 1/20 0.38
SLC6A12 P48065 1/20 0.38

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
Oxalic Acid SCHEMBL8399088 0.97 HTR1A (0.48) HTR1ADRD2DRD3MEN1KMT2A
SCHEMBL8396403 0.91 MEN1 (0.49) HTR1ADRD2DRD3MEN1KMT2A
SCHEMBL8400183 0.90 DRD2 (0.43) HTR1ADRD2DRD3MEN1KMT2A
SCHEMBL8791896 0.89 HTR1A (0.49) HTR1ADRD3SLC6A4HTR1B
SCHEMBL7883032 0.89 CCR1 (0.48) HTR1ADRD2DRD3MEN1KMT2A
Oxalic Acid SCHEMBL8400503 0.88 DRD2 (0.49) HTR1ADRD2DRD3MEN1KMT2A
SCHEMBL8398976 0.87 DRD2 (0.53) HTR1ADRD2DRD3MEN1KMT2A
SCHEMBL8397985 0.87 HTR1A (0.65) HTR1ASLC6A4
Oxalic Acid SCHEMBL8398992 0.87 DRD2 (0.44) HTR1ADRD2DRD3MEN1KMT2A
SCHEMBL8397976 0.87 HTR1A (0.45) HTR1ADRD2DRD3MEN1KMT2A

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