SCHEMBL26048795

SCHEMBL26048795

CC(C)C1CN(c2ccc(F)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
GRM1 Q13255 2/20 0.44
GPR119 Q8TDV5 1/20 0.42
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
DHFR P00374 1/20 0.39
SLC6A9 P48067 3/20 0.37
ACACB O00763 1/20 0.37
CHIA Q9BZP6 1/20 0.37
HTR1A P08908 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR7 P34969 1/20 0.36
DRD3 P35462 1/20 0.36
CHRM1 P11229 1/20 0.35
AVPR2 P30518 1/20 0.35

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
SCHEMBL24126281 0.84 HRH3 (0.54) HRH3GRM1GPR119DHFRCHIA
SCHEMBL10150978 0.81 GRIN2D (0.45) HRH3GPR119DHFRHTR1ADRD4
SCHEMBL26048823 0.81 GRM1 (0.47) HRH3GRM1GPR119HCRTR1HCRTR2
SCHEMBL10121068 0.80 ACACB (0.49) ACACB
SCHEMBL24434712 0.78 HRH3 (0.46) HRH3GPR119HCRTR1HCRTR2DHFR
SCHEMBL20064022 0.77 GRM1 (0.47) HRH3GRM1GPR119HCRTR1HCRTR2
SCHEMBL23019809 0.77 KMT2A (0.51) GRM1GPR119HCRTR1HCRTR2CHIA
SCHEMBL23046561 0.77 GRM1 (0.44) HRH3GRM1GPR119HCRTR1HCRTR2
SCHEMBL20004006 0.77 KMT2A (0.51) GRM1GPR119HCRTR1HCRTR2CHIA
SCHEMBL20157231 0.75 CHRNB4 (0.49) GRM1HCRTR1HCRTR2

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
WO-2023164235-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164236-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed
WO-2023164237-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 WO disclosed