SCHEMBL21760922

SCHEMBL21760922

CN(C)c1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H](O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CTSB P07858 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CTSC P53634 1/20 0.39
ADRA2A P08913 2/20 0.39
NPY5R Q15761 2/20 0.39
MCHR1 Q99705 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 3/20 0.37
DRD2 P14416 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
TP53 P04637 1/20 0.37
PIK3C2G O75747 2/20 0.37
ALOX5AP P20292 2/20 0.36

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
SCHEMBL3410369 0.80 L3MBTL1 (0.48) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL21760794 0.80 TP53 (0.55) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL21760947 0.80 L3MBTL1 (0.48) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL21760617 0.80 L3MBTL1 (0.64) L3MBTL1DRD2ADRA1DADRA1AADRA1B
SCHEMBL17393986 0.80 L3MBTL1 (0.64) L3MBTL1DRD2ADRA1DADRA1AADRA1B
SCHEMBL17393987 0.80 L3MBTL1 (0.64) L3MBTL1DRD2ADRA1DADRA1AADRA1B
SCHEMBL2197572 0.78 SLC6A9 (0.44) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL2197567 0.78 SLC6A9 (0.44) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL2195057 0.77 L3MBTL1 (0.48) CTSLCTSSCTSKCTSBMAPK1
SCHEMBL2195060 0.77 L3MBTL1 (0.48) CTSLCTSSCTSKCTSBMAPK1

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
EP-3842439-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2021-06-30 EP disclosed
WO-2020040104-A1 BICYCLIC HETEROAROMATIC RING DERIVATIVE 杏林製薬株式会社 2020-02-27 WO disclosed