SCHEMBL27103201

SCHEMBL27103201

C=C(C(C)C)N1C2CCC1CC(Oc1cccc3nc(C)c(C(=O)O)c(N)c13)C2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.36
OPRK1 P41145 3/20 0.36
KCNH2 Q12809 3/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
TP53 P04637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL16713050 0.91 GPR119 (0.37) GPR119OPRK1KCNH2CHRM2CHRM4
SCHEMBL10258558 0.91 GPR119 (0.37) GPR119OPRK1KCNH2CHRM2CHRM4
SCHEMBL10251003 0.81 OPRK1 (0.35) GPR119OPRK1KCNH2CHRM2CHRM4
SCHEMBL621637 0.80 SMYD3 (0.42) GPR119KCNH2TP53HSD17B10
SCHEMBL620752 0.80 HSD17B10 (0.41) KCNH2MEN1KMT2ATP53HSD17B10
SCHEMBL27103198 0.79 TP53 (0.38) KCNH2MEN1KMT2ATP53HSD17B10
SCHEMBL621608 0.79 MCHR1 (0.43) KCNH2MEN1KMT2ATP53HSD17B10
SCHEMBL30358378 0.79 MCHR1 (0.43) KCNH2MEN1KMT2ATP53HSD17B10
SCHEMBL620347 0.79 MCHR1 (0.43) KCNH2MEN1KMT2ATP53HSD17B10
SCHEMBL15605487 0.78 DCPS (0.39) CHRM1

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
US-20240065302-A1 SWEETENER COMPOSITIONS COMPRISING MOGROSIDES AND USES THEREOF FIRMENICH INCORPORATED 2024-02-29 US disclosed