SCHEMBL6532070

SCHEMBL6532070

CN(c1nc2ccccc2s1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.56
CXCR3 P49682 2/20 0.51
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
USP30 Q70CQ3 2/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 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
Bromide SCHEMBL9774873 0.85 SMN1; SMN2 (0.58) CXCR3EBPSIGMAR1ALOX15TSHR
SCHEMBL14349586 0.82 EBP (0.52) CXCR3EBPSIGMAR1ALOX15TSHR
SCHEMBL14349584 0.81 EBP (0.52) CXCR3EBPSIGMAR1ALOX15TSHR
SCHEMBL17141939 0.80 UBE2M (0.62) GPR119TSHRMEN1KMT2A
SCHEMBL14349585 0.80 EBP (0.52) CXCR3EBPSIGMAR1ALOX15TSHR
Bromide SCHEMBL9774952 0.79 EBP (0.54) CXCR3EBPSIGMAR1ALOX15TSHR
SCHEMBL23360302 0.79 MEN1 (0.50) GPR119USP30MEN1KMT2A
SCHEMBL4768370 0.78 GPR119 (0.55) GPR119TSHRMEN1KMT2A
SCHEMBL30291360 0.78 GPR119 (0.55) GPR119USP30
SCHEMBL28975843 0.78 GPR119 (0.55) GPR119USP30

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-2005003127-A1 BICYCLIC HETEROAROMATIC DERIVATIVES AS MODULATORS OF CXCR3 FUNCTION CELLTECH R & D LIMITED (GB) 2005-01-13 WO disclosed