SCHEMBL7201896

SCHEMBL7201896

COc1cccc(C2CCCCN2C(C)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB2 P17787 1/20 0.47
SLC6A2 P23975 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHRND Q07001 1/20 0.47
ROCK2 O75116 3/20 0.46
CHRNA7 P36544 2/20 0.44
POLB P06746 1/20 0.43
MDM2 Q00987 1/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 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
SCHEMBL23449208 0.86 KDM4E (0.47) ROCK2CHRNA7KDM4EALDH1A1LMNA
SCHEMBL4420298 0.83 KDM4E (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL24775502 0.82 DRD2 (0.50) CHRNA7KDM4EALDH1A1KMT2ALMNA
SCHEMBL7592791 0.79 RIPK1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL7592803 0.79 RIPK1 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL13452591 0.76 CHRNA7 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL27772049 0.76 SLC6A3 (0.46) SLC6A2SLC6A3ALDH1A1TSHRMEN1
SCHEMBL27772055 0.76 SLC6A3 (0.46) SLC6A2SLC6A3ALDH1A1TSHRMEN1
SCHEMBL9367075 0.76 SLC6A3 (0.46) SLC6A2SLC6A3ALDH1A1TSHRMEN1
SCHEMBL13452486 0.75 CHRNA7 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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-6596724-B2 Used in promoting weight loss and treating eating disorders BRISTOL-MYERS SQUIBB COMPANY 2003-07-22 US disclosed