SCHEMBL21760965

SCHEMBL21760965

O=S(=O)(N[C@H]1CC[C@@H](O)CC1)c1cc(Br)ccc1OC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.51
ADRA2A P08913 4/20 0.51
NPY5R Q15761 4/20 0.51
ALPL P05186 7/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
PIK3C2G O75747 2/20 0.43
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
WDR5 P61964 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PI4KA P42356 1/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CASP1 P29466 1/20 0.39

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
SCHEMBL21760943 1.00 MCHR1 (0.51) MCHR1ADRA2ANPY5RALPLL3MBTL1
SCHEMBL2197205 0.91 MCHR1 (0.61) MCHR1ADRA2ANPY5RALPL
SCHEMBL2197208 0.91 MCHR1 (0.61) MCHR1ADRA2ANPY5RALPL
SCHEMBL6102679 0.86 MCHR1 (0.48) MCHR1ADRA2ANPY5RALPLL3MBTL1
SCHEMBL17393987 0.84 L3MBTL1 (0.64) L3MBTL1PIK3C2GDRD2ADRA1DADRA1A
SCHEMBL21760617 0.84 L3MBTL1 (0.64) L3MBTL1PIK3C2GDRD2ADRA1DADRA1A
SCHEMBL17393986 0.84 L3MBTL1 (0.64) L3MBTL1PIK3C2GDRD2ADRA1DADRA1A
SCHEMBL3006664 0.84 MCHR1 (0.66) MCHR1ADRA2ANPY5RALPLL3MBTL1
SCHEMBL4732954 0.83 ALPL (0.49) MCHR1ADRA2ANPY5RALPLDRD2
SCHEMBL1723245 0.83 MCHR1 (0.47) MCHR1ADRA2ANPY5RALPLL3MBTL1

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-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed