SCHEMBL8507409

SCHEMBL8507409

Cc1oc2c(CCCS(=O)(=O)O)cccc2c1C

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.39
MTNR1B P49286 19/20 0.39
GLA P06280 1/20 0.35
STING1 Q86WV6 1/20 0.35

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
SCHEMBL8081899 0.77 GLA (0.38) MTNR1AMTNR1BGLASTING1
SCHEMBL7824589 0.75 PDCD1 (0.43) GLASTING1
SCHEMBL31359145 0.71 NQO2 (0.51) MTNR1A
SCHEMBL5937268 0.71 NQO2 (0.51) MTNR1A
SCHEMBL8038419 0.70 HTR1A (0.43)
Hydrochloric Acid SCHEMBL8086156 0.69 HTR1A (0.42)
SCHEMBL25762901 0.68 GLA (0.35) GLASTING1
SCHEMBL11800503 0.67 NQO2 (0.50) MTNR1A
SCHEMBL11788148 0.66 NQO2 (0.49) MTNR1A
SCHEMBL21914136 0.65 MGLL (0.62)

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-0888324-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1999-01-07 EP disclosed
WO-1997032870-A1 2-AMINOETHYL-BENZOFURAN DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF SYNTHELABO (FR) 1997-09-12 WO disclosed