SCHEMBL8760175

SCHEMBL8760175

Cc1ccsc1C(Cc1ccccc1N)N(C)C(=O)CN

nearest known ligand 0.70

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.39
ALOX5 P09917 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.34

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
Hydrochloric Acid SCHEMBL8760208 0.99 OPRK1 (0.38) OPRK1ALOX5GAAKMT2A
SCHEMBL8946090 0.88 ALOX5 (0.39) OPRK1ALOX5KMT2A
SCHEMBL8946088 0.87 ALOX5 (0.41) OPRK1ALOX5KMT2A
SCHEMBL8761049 0.86 ALOX5 (0.36) ALOX5KMT2A
SCHEMBL8761051 0.84 GAA (0.42) ALOX5GAA
SCHEMBL8945876 0.82 ALOX5 (0.35) ALOX5KMT2A
Maleic Acid SCHEMBL8761537 0.81 ALOX5 (0.33) OPRK1ALOX5GAAKMT2A
Fumaric Acid SCHEMBL8761550 0.81 ALOX5 (0.33) OPRK1ALOX5GAAKMT2A
SCHEMBL8945840 0.80 ALOX5 (0.35) ALOX5KMT2A
SCHEMBL8761014 0.75 MAPK8 (0.36) ALOX5KMT2A

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-0557305-B1 (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES ASTRA AB (SE) 1997-06-11 EP claimed
EP-0557305-A1 (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES. FISONS CORP (US) 1993-09-01 EP claimed
WO-1992005169-A1 (2-THIENYL) ALKYLAMINE DERIVATIVES HAVING NEUROPROTECTIVE PROPERTIES FISONS CORPORATION (US) 1992-04-02 WO claimed