SCHEMBL7258104

SCHEMBL7258104

Nc1cccc2c1CCCC2S(N)(=O)=O

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.46
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
GID4 Q8IVV7 1/20 0.39
HSD17B2 P37059 1/20 0.37
HTR6 P50406 1/20 0.34
ADRA1A P35348 1/20 0.33

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
SCHEMBL7258192 0.80 ADRA2A (0.42) ADRA2ACA1CA2ADRA1A
SCHEMBL20810855 0.79 ADRA2A (0.43) ADRA2ACA1CA2HTR6ADRA1A
SCHEMBL1878272 0.75 IDO1 (0.50) CA1CA2HTR6
SCHEMBL29617530 0.75 IDO1 (0.50) CA1CA2HTR6
SCHEMBL7258318 0.74 HTR6 (0.34) CA1CA2HTR6
SCHEMBL7327615 0.74 ADRA2A (0.51) ADRA2ACA1CA2GID4HSD17B2
SCHEMBL7012015 0.73 ADRA2A (0.50) ADRA2ACA1CA2GID4HSD17B2
SCHEMBL7258183 0.71 SIRT1 (0.47) ADRA2AGID4HSD17B2
SCHEMBL24539163 0.69 ADRA2A (0.47) ADRA2ACA1CA2GID4HSD17B2
SCHEMBL8370650 0.68 HSD17B2 (0.56) ADRA2ACA1CA2HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0614898-B1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2003-05-07 EP disclosed
US-6291470-B1 DELTA-OPIOID ANTAGONIST HAVING HIGH SELECTIVITY AND ACTIVITY, THAT EXHIBITS IMMUNOSUPPRESSIVE ACTION, ANTIALLERGIC ACTION, ANTI-INFLAMMATORY ACTION AND BRAIN CELL-PROTECTING ACTION TORAY INDUSTRIES, INC. (JP) 2001-09-18 US disclosed
US-6087369-A AN IMMUNOSUPPRESSIVE AGENT, ANTIALLERGIC AGENT, ANTI-INFLAMMATORY AGENT AND BRAIN CELL-PROTECTING AGENT TORAY INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
US-5852030-A Indole derivatives, process for producing the same and medicinal uses of the same TORAY INDUSTRIES, INC. (JP) 1998-12-22 US disclosed
EP-0614898-A1 INDOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-09-14 EP disclosed