SCHEMBL16683530

SCHEMBL16683530

C[C@H]1CNCC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 6/20 0.55
SSTR1 P30872 4/20 0.55
CPB1 P15086 2/20 0.53
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.49
HTR2C P28335 1/20 0.48
NAAA Q02083 1/20 0.46
EPHX1 P07099 1/20 0.46

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
SCHEMBL10271642 0.90 CPB1 (0.53) CPB1ALDH1A1GAATSHRHTR2C
SCHEMBL13624953 0.90 CPB1 (0.53) CPB1ALDH1A1GAATSHRHTR2C
SCHEMBL29492196 0.90 CPB1 (0.53) CPB1ALDH1A1GAATSHRHTR2C
SCHEMBL16683529 0.88 ALDH1A1 (0.51) CPB1ALDH1A1GAATSHRNAAA
SCHEMBL5745326 0.86 ALDH1A1 (0.52) CPB1ALDH1A1GAATSHRNAAA
SCHEMBL2699266 0.86 CPB1 (0.57) CPB1ALDH1A1GAATSHRNAAA
SCHEMBL16683509 0.86 ALDH1A1 (0.52) CPB1ALDH1A1GAATSHRNAAA
SCHEMBL2823788 0.85 CPB1 (0.54) CPB1ALDH1A1GAATSHRHTR2C
SCHEMBL5227905 0.85 CPB1 (0.54) CPB1ALDH1A1GAATSHRHTR2C
SCHEMBL30401008 0.85 CPB1 (0.54) CPB1ALDH1A1GAATSHRHTR2C

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-2015061572-A1 INHIBITORS OF THE FIBROBLAST GROWTH FACTOR RECEPTOR BLUEPRINT MEDICINES CORPORATION (US) 2015-04-30 WO disclosed