SCHEMBL9123010

SCHEMBL9123010

CCOC(=O)CCCOc1cccc2c1SCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BRD4 O60885 1/20 0.43
NAMPT P43490 1/20 0.38
NOTUM Q6P988 1/20 0.38
F2RL3 Q96RI0 1/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PTPN1 P18031 1/20 0.37
DHFR P00374 1/20 0.37

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
SCHEMBL9123531 0.84 HTR1A (0.49) HTR1AADRA2ASLC6A2SLC6A4MEN1
SCHEMBL9122214 0.80 HTR1A (0.50) HTR1AADRA2ASLC6A2SLC6A4MEN1
SCHEMBL9121087 0.79 KCNH2 (0.51) MEN1KMT2ALMNAMAPTLTA4H
SCHEMBL8371199 0.77 HTR1A (0.49) HTR1AADRA2ASLC6A2SLC6A4MEN1
SCHEMBL7524073 0.76 HTR1A (0.52) HTR1AADRA2ASLC6A2SLC6A4KMT2A
SCHEMBL8317904 0.74 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4MEN1
SCHEMBL7524020 0.74 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4MEN1
SCHEMBL7524469 0.74 HTR1A (0.51) HTR1AADRA2ASLC6A2SLC6A4MEN1
SCHEMBL9120164 0.74 HTR1A (0.49) HTR1AADRA2ASLC6A2SLC6A4LMNA
SCHEMBL201784 0.73 MEN1 (0.59) MEN1KMT2ALMNAGAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5389668-A Thiochroman compounds ADIR ET COMPAGNIE (FR) 1995-02-14 US disclosed
US-5385930-A Treating central nervous system disorders like anxiety and depression ADIR ET COMPAGNIE (FR) 1995-01-31 US disclosed
US-5371103-A Thiochroman compounds ADIR ET COMPAGNIE (FR) 1994-12-06 US disclosed
US-5332741-A Antidepressants ADIR ET COMPAGNIE (FR) 1994-07-26 US disclosed