SCHEMBL11033586

SCHEMBL11033586

COc1ccc2c(ccn2CC(N)C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.68
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
ITGB3 P05106 2/20 0.49
ITGAV P06756 2/20 0.49
PRMT5 O14744 5/20 0.49
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PTGS2 P35354 3/20 0.47
PTGS1 P23219 2/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
CDC42 P60953 1/20 0.47
RAC1 P63000 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
HTR2A P28223 3/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL4043277 0.88 HTR2C (0.67) HTR2CMTNR1AMTNR1BITGB3ITGAV
SCHEMBL3828577 0.88 HTR2C (0.67) HTR2CMTNR1AMTNR1BITGB3ITGAV
SCHEMBL11032483 0.81 HTR2C (0.65) HTR2CPRMT5HDAC8HDAC6CYP1A2
SCHEMBL4042962 0.81 HTR2C (0.65) HTR2CPRMT5HDAC8HDAC6HTR2A
SCHEMBL4042963 0.81 HTR2C (0.65) HTR2CPRMT5HDAC8HDAC6HTR2A
SCHEMBL30839291 0.79 HTR2C (0.73) HTR2CMTNR1AMTNR1BPRMT5HDAC11
SCHEMBL29162348 0.79 HTR2C (0.73) HTR2CMTNR1AMTNR1BPRMT5HDAC11
SCHEMBL25521336 0.79 HTR2C (0.73) HTR2CMTNR1AMTNR1BPRMT5HDAC11
SCHEMBL14876186 0.79 MTNR1A (0.58) HTR2CMTNR1AMTNR1BHDAC11HDAC8
SCHEMBL22930056 0.78 HTR2C (0.77) HTR2CMTNR1AMTNR1BPRMT5HDAC11

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-4448785-A N-Unsaturated fatty acid amides of tryptophan ester homologues and anti-cholesteric use thereof SANDOZ, INC. (US) 1984-05-15 US disclosed