SCHEMBL27082136

SCHEMBL27082136

CCC(ON)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
SLC6A3 Q01959 6/20 0.40
SLC7A5 Q01650 1/20 0.38
ALOX5 P09917 1/20 0.38
MLNR O43193 1/20 0.38
CACNA1F O60840 1/20 0.38
CYP1A2 P05177 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP3A4 P08684 1/20 0.38
HTR1A P08908 1/20 0.38
GAA P10253 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
DRD2 P14416 1/20 0.38
KCNE1 P15382 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL5911245 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3SLC7A5ALOX5
SCHEMBL5911184 0.81 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3SLC7A5ALOX5
SCHEMBL3798593 0.78 CACNA2D1 (0.36) SLC6A2SLC6A4SLC6A3SLC7A5MLNR
SCHEMBL5911550 0.77 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3SLC7A5ALOX5
SCHEMBL628049 0.74 RAB9A (0.37) SLC6A2SLC6A4SLC6A3ALOX5MLNR
SCHEMBL1888261 0.74
SCHEMBL3465862 0.74
SCHEMBL12261602 0.74
SCHEMBL11726275 0.73 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3SLC7A5ALOX5
SCHEMBL2880798 0.73 ALOX5 (0.39) SLC6A2SLC6A4SLC6A3ALOX5CYP3A4

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
EP-4313065-A2 METHODS AND COMPOSITIONS FOR TREATING CLOSTRIDIODES DIFFICILE INFECTIONS Matrivax, Inc. (US) 2024-02-07 EP disclosed