SCHEMBL623089

SCHEMBL623089

CC(C=O)CN1CCC(CO)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
KCNH2 Q12809 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
PIK3CD O00329 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL864305 0.79 GRIN2D (0.35) HRH3KCNH2CACNA1ISLC6A3GRIN2D
SCHEMBL13683795 0.79 PIK3CD (0.44) HRH3GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL20407544 0.78
SCHEMBL20449066 0.78 GNAI3 (0.38)
SCHEMBL459379 0.75 CHRM1 (0.40) HRH3KCNH2CACNA1IPIK3CD
SCHEMBL8902458 0.74 HSD17B10 (0.44) HRH3KCNH2PIK3CD
SCHEMBL9432473 0.73 MEN1 (0.58) GRIN2DGRIN3BADRA1DADRA1AADRA1B
SCHEMBL3397541 0.73 SMN1; SMN2 (0.43) PIK3CD
SCHEMBL9431693 0.72 HSD17B10 (0.47) HRH3KCNH2
SCHEMBL4342319 0.71 LTA4H (0.36) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603098-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER Senomyx, Inc. (US) 2013-06-19 EP disclosed
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 WO disclosed