SCHEMBL4539192

SCHEMBL4539192

COC(=O)c1cccn1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.56
DRD4 P21917 7/20 0.56
DRD3 P35462 7/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 1/20 0.52
CHRM4 P08173 1/20 0.52
SIGMAR1 Q99720 2/20 0.49

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
SCHEMBL29671551 0.82 CHRM4 (0.54) MEN1KMT2AALDH1A1USP2KDM4E
SCHEMBL3494237 0.76 DRD4 (0.48) DRD2DRD4DRD3ALDH1A1KDM4E
SCHEMBL12668381 0.74 MEN1 (0.50) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL2794872 0.74 ALDH1A1 (0.63) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL1243976 0.74 CNR2 (0.55) KDM4E
SCHEMBL3494523 0.74 OPRM1 (0.49) DRD2MEN1KMT2AALDH1A1KDM4E
SCHEMBL8681974 0.73 MEN1 (0.62) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL2980930 0.72 DRD2 (0.67) DRD2DRD4
SCHEMBL7893044 0.72 CYP2D6 (0.58) MEN1KMT2A
SCHEMBL6705674 0.72 DRD2 (0.59) DRD2DRD4ALDH1A1KDM4ECHRM4

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