SCHEMBL4540767

SCHEMBL4540767

COC(=O)c1cccn1C1CCN(C(=O)OC(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.41
CHRM2 P08172 2/20 0.41
CHRM1 P11229 1/20 0.41
MMP1 P03956 2/20 0.41
MMP13 P45452 2/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
FAAH O00519 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL4543005 0.76 OPRD1 (0.39)
SCHEMBL4539192 0.72 DRD2 (0.56)
SCHEMBL368619 0.70 GPR119 (0.43) GPR119CHRM2CHRM1ACACBACACA
SCHEMBL25446986 0.70 NPC1 (0.42)
SCHEMBL25446988 0.69 NPC1 (0.41)
SCHEMBL19454951 0.69 HSD11B1 (0.44) GPR119MMP1MMP13MMP3MMP7
SCHEMBL25478482 0.69 NPC1 (0.42) CHRM1
SCHEMBL20762510 0.68 CHRM2 (0.49) CHRM2CHRM1ACACBACACA
SCHEMBL13617386 0.68 SMN1; SMN2 (0.54) CHRM2CHRM1MMP1MMP13MMP3
SCHEMBL20220386 0.68 ADRA1A (0.48) GPR119ACACBACACA

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed