SCHEMBL7918563

SCHEMBL7918563

CCN1CC(COS(=O)(=O)c2ccc(C)cc2)Oc2c(OC)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.42
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
HTR7 P34969 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL7918893 0.92 HTR1A (0.43) HTR1AALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL8031227 0.90 HTR1A (0.41) HTR1AALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL7920376 0.88 HTR1A (0.41) HTR1AALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6978072 0.85 LMNA (0.44) HTR1AALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL7911444 0.80 ALDH1A1 (0.38) HTR1AALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4231318 0.78 KMT2A (0.40) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4622281 0.78 CA2 (0.44) HTR1AALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6629103 0.78 CA2 (0.44) HTR1AALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6979029 0.77 LMNA (0.43) HTR1AALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL6221416 0.77 ADRA1D (0.47) HTR1AADRA1DADRA1AADRA1BLMNA

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-6221863-B1 TREATING DEPRESSION IN A PATIENT AMERICAN HOME PRODUCTS CORP. 2001-04-24 US disclosed