SCHEMBL6204050

SCHEMBL6204050

CC(C)(C)NC(=O)C1NCCc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
OPRM1 P35372 9/20 0.45
PRCP P42785 3/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 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
SCHEMBL28134799 1.00 TSHR (0.60) TSHRNPSR1OPRM1PRCPSLC6A2
SCHEMBL13646900 0.84 TSHR (0.65) TSHRNPSR1OPRM1PRCPSLC6A2
SCHEMBL32689446 0.82 TSHR (0.67) TSHRNPSR1OPRM1PRCPSLC6A2
SCHEMBL5160890 0.82 TSHR (0.67) TSHRNPSR1OPRM1PRCPSLC6A2
SCHEMBL12571279 0.79 TSHR (0.71) TSHRNPSR1OPRM1PRCPSLC6A2
SCHEMBL9637870 0.79 TSHR (0.71) TSHRNPSR1OPRM1PRCPSLC6A2
SCHEMBL3060010 0.79 TSHR (0.71) TSHRNPSR1OPRM1PRCPSLC6A2
SCHEMBL12571281 0.79 TSHR (0.71) TSHRNPSR1OPRM1PRCPSLC6A2
SCHEMBL11104021 0.78 TSHR (0.66) TSHRNPSR1OPRM1PRCPSLC6A2
SCHEMBL4022286 0.78 TSHR (0.75) TSHRNPSR1OPRM1PRCPSLC6A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751128-B2 Process for producing optically active amides AJINOMOTO KK (JP) 2005-08-31 EP disclosed
US-5994545-A TETRAHYDROISOQUINOLINE-3(S)-CARBOXYLIC ACID N-CARBOXY ANHYDRIDE; INTERMEDIATES OF SAQUINAVIR (EP 432694). AJINOMOTO CO., INC. (JP) 1999-11-30 US disclosed
EP-0751128-B1 Process for producing optically active amides AJINOMOTO KK (JP) 1999-07-28 EP disclosed
EP-0751128-A1 Process for producing optically active amides Ajinomoto Co., Ltd. (JP) 1997-01-02 EP disclosed