SCHEMBL3342687

SCHEMBL3342687

CCc1cnc(N2CCC(Oc3ccc(C(=O)O)cc3)CC2)nc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.52
ACACB O00763 4/20 0.49
ADRB2 P07550 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SSTR5 P35346 1/20 0.47
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
SCD O00767 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL3341593 0.90 GPR119 (0.51) GPR119ACACBADRB2MEN1KMT2A
SCHEMBL3343984 0.89 ACACB (0.52) GPR119ACACBADRB2MEN1KMT2A
SCHEMBL8515468 0.81 GPR119 (0.53) GPR119ACACB
SCHEMBL8537179 0.80 GPR119 (0.42) GPR119ACACB
SCHEMBL15110025 0.80 GPR119 (0.49) GPR119MEN1KMT2ARXRARXRB
SCHEMBL8513552 0.79 GPR119 (0.51) GPR119ACACB
Oxalic Acid SCHEMBL15110141 0.78 GPR119 (0.47) GPR119MEN1KMT2ARXRARXRB
SCHEMBL12239173 0.78 GPR119 (0.48) GPR119ACACBADRB2MEN1KMT2A
SCHEMBL25677913 0.77 POLB (0.59) GPR119MEN1KMT2A
SCHEMBL3346772 0.76 GPR119 (0.47) GPR119ACACBKCNH2

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