SCHEMBL8005380

SCHEMBL8005380

CN([C]=O)CC1CC1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.49
HTR2B P41595 6/20 0.49
HTR2A P28223 4/20 0.49
MAOB P27338 2/20 0.49
SLC6A4 P31645 4/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
AGTR2 P50052 1/20 0.42
ALOX5 P09917 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
SCHEMBL8005382 1.00 HTR2C (0.49) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL11042270 0.80 SLC6A4 (0.65) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL16356787 0.80 SLC6A4 (0.65) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL16356786 0.80 SLC6A4 (0.65) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL8005384 0.77 HTR2C (0.49) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL1289737 0.74 SLC6A4 (0.67) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL7969639 0.72 ALOX5 (0.53) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL7969636 0.72 ALOX5 (0.53) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL13807755 0.72 MAOA (0.45) HTR2CHTR2BHTR2AMAOBSLC6A4
SCHEMBL12511292 0.72 MAOA (0.45) HTR2CHTR2BHTR2AMAOBSLC6A4

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
WO-2000021910-A2 1,2-DISUBSTITUTED CYCLOPROPANES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-04-20 WO disclosed