SCHEMBL8549470

SCHEMBL8549470

CCOC(=O)c1cc2c(N3CCN(C)CC3)cccc2s1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 1/20 0.45
HTR1A P08908 4/20 0.44
SLC6A4 P31645 2/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL8544023 0.90 HTR1A (0.48) MAPTTSHRHSD17B10LMNAHTR1A
Hydrochloric Acid SCHEMBL6017128 0.89 HTR1A (0.47) MAPTTSHRHSD17B10LMNAHTR1A
SCHEMBL17996841 0.89 ALDH1A1 (0.47) MAPTTSHRHSD17B10LMNAHTR1A
SCHEMBL17996836 0.88 MAPT (0.46) MAPTTSHRHSD17B10LMNAHTR1A
SCHEMBL8548654 0.87 MAPT (0.43) MAPTTSHRHSD17B10LMNAHTR1A
Hydrochloric Acid SCHEMBL8548772 0.86 MAPT (0.43) MAPTTSHRHSD17B10LMNAHTR1A
SCHEMBL17080814 0.86 MAPT (0.49) MAPTLMNAALDH1A1L3MBTL1
SCHEMBL8545047 0.85 HTR1A (0.53) HTR1ASLC6A4ALDH1A1HTR1DHTR1B
SCHEMBL8545092 0.85 PRMT1 (0.57) MAPTLMNAHTR1ASLC6A4ALDH1A1
Hydrochloric Acid SCHEMBL8545546 0.85 HTR1A (0.52) HTR1ASLC6A4ALDH1A1HTR1DHTR1B

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
EP-0660832-B1 SEROTONIN RECEPTOR AGENTS MERRELL PHARMA INC (US) 1998-01-14 EP disclosed
US-5436246-A Compounds for treatment of anxiety, depression, migraine, stroke, angina and hypertension MERRELL DOW PHARMACEUTICALS INC. 1995-07-25 US disclosed