SCHEMBL8749775

SCHEMBL8749775

CC1(C)OCC(CO)N1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.51
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.41
P2RX4 Q99571 2/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ADORA2B P29275 1/20 0.39

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
SCHEMBL2156734 1.00 HTR2C (0.51) HTR2CALDH1A1MEN1KMT2ANPSR1
SCHEMBL1568880 0.90 HTR2C (0.49) HTR2CALDH1A1MEN1KMT2ANPSR1
SCHEMBL1568877 0.90 HTR2C (0.49) HTR2CALDH1A1MEN1KMT2ANPSR1
SCHEMBL1568630 0.88 HTR2C (0.47) HTR2CALDH1A1MEN1KMT2ANPSR1
SCHEMBL1568627 0.88 HTR2C (0.47) HTR2CALDH1A1MEN1KMT2ANPSR1
SCHEMBL26782488 0.88 HTR2C (0.47) HTR2CALDH1A1MEN1KMT2ANPSR1
SCHEMBL1568398 0.87 HTR2C (0.48) HTR2CALDH1A1MEN1KMT2ANPSR1
SCHEMBL1568401 0.87 HTR2C (0.48) HTR2CALDH1A1MEN1KMT2ANPSR1
SCHEMBL7406225 0.86 HTT (0.47) HTR2CALDH1A1MEN1KMT2ANPSR1
SCHEMBL7406222 0.86 HTT (0.47) HTR2CALDH1A1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482080-B1 SMALL CYCLIC PLATELET AGGREGATION INHIBITORS GENENTECH INC (US) 1997-03-26 EP disclosed
EP-0493506-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1992-07-08 EP disclosed
WO-1991004247-A1 CHIMERIC AMINO ACIDS AND PEPTIDES CONTAINING THESE ANALOGUES GENENTECH, INC. (US) 1991-04-04 WO disclosed