SCHEMBL22124254

SCHEMBL22124254

NC1CCN(C2CCS(=O)(=O)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
HRH3 Q9Y5N1 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
MAPT P10636 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRL1 P41146 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL18502943 0.83 SMN1; SMN2 (0.37) SMN1; SMN2HRH3
SCHEMBL954379 0.83 SMN1; SMN2 (0.37) SMN1; SMN2HRH3
Hydrochloric Acid SCHEMBL26678224 0.81 SMN1; SMN2 (0.36) SMN1; SMN2HRH3
SCHEMBL986211 0.79 SLC18A3 (0.38) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL1306715 0.79 SLC18A3 (0.42) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL10140528 0.78 SMN1; SMN2 (0.46) SMN1; SMN2HRH3MAPTCYP2D6KCNH2
SCHEMBL222504 0.78 KDM1A (0.34) OPRM1OPRD1OPRK1OGFRL1CYP2D6
SCHEMBL30832687 0.77 DPP4 (0.39) SMN1; SMN2
SCHEMBL3958871 0.77 SLC18A3 (0.45) OPRM1OPRD1OPRK1OGFRL1OPRL1
SCHEMBL550979 0.77 SLC18A3 (0.45) OPRM1OPRD1OPRK1OGFRL1OPRL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 EP disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 CN disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 WO disclosed