SCHEMBL8589263

SCHEMBL8589263

NC(=O)C[C@@H](CC1Cc2ccccc2C1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.37
CPA1 P15085 2/20 0.37
CPB1 P15086 1/20 0.37
CPA3 P15088 1/20 0.37
CPB2 Q96IY4 1/20 0.37
IDO1 P14902 1/20 0.36
MME P08473 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 1/20 0.35
GRIK1 P39086 1/20 0.35
GRIK2 Q13002 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34

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
SCHEMBL8587688 1.00 TSHR (0.39) TSHRCYP1A2CPA1CPB1CPA3
SCHEMBL9466772 0.78 MAPT (0.41) IDO1MAPTGRM7MTNR1AMTNR1B
SCHEMBL27076467 0.77 ALPI (0.47) IDO1MAPT
SCHEMBL27076468 0.77 ALPI (0.47) IDO1MAPT
Hydrochloric Acid SCHEMBL8590499 0.76 ALPI (0.46) IDO1
Hydrochloric Acid SCHEMBL8590375 0.76 ALPI (0.46) IDO1
Hydrochloric Acid SCHEMBL8590359 0.76 ALPI (0.46) IDO1
SCHEMBL7680917 0.73 ACE (0.47) GRM7
SCHEMBL2330713 0.72 IDO1 (0.44) IDO1MAPT
SCHEMBL30595345 0.72 IDO1 (0.44) IDO1MAPT

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-1998051687-A1 PIPERIDINO DERIVATIVES WHICH PROMOTE GROWTH HORMONE RELEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-19 WO disclosed