SCHEMBL3343984

SCHEMBL3343984

CCOC(=O)c1ccc(OC2CCN(c3ncc(CC)cn3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 5/20 0.52
GPR119 Q8TDV5 6/20 0.50
ADRB2 P07550 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
EPHX2 P34913 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45

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
SCHEMBL3342687 0.89 GPR119 (0.52) ACACBGPR119ADRB2MEN1KMT2A
SCHEMBL3341593 0.88 GPR119 (0.51) ACACBGPR119ADRB2MEN1KMT2A
SCHEMBL8515468 0.81 GPR119 (0.53) ACACBGPR119
SCHEMBL11756971 0.80 LMNA (0.61) EPHX2POLBMAPT
SCHEMBL24244916 0.80 SCN1A (0.56) ADRB2MEN1KMT2AEPHX2POLB
SCHEMBL6135447 0.79 ALDH1A1 (0.55) ACACBKMT2AEPHX2POLBMAPT
SCHEMBL6135044 0.78 MAPT (0.51) ACACBMEN1KMT2AEPHX2POLB
SCHEMBL24880446 0.77 HRH3 (0.47) ACACBPOLBMAPTHRH3
SCHEMBL24881050 0.77 ACACB (0.47) ACACBPOLBMAPTHRH3
SCHEMBL24880761 0.77 ACACB (0.47) ACACBPOLBMAPTHRH3

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
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed
WO-2010048149-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-04-29 WO disclosed