SCHEMBL6607480

SCHEMBL6607480

CC(C)(C)c1cc(-c2csc(C[C@]3(O)CCNC3)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.55
▸ CNR1 P21554 7/20 0.49
▸ NISCH Q9Y2I1 1/20 0.36
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ PTGS2 P35354 3/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6607985 1.00 CNR2 (0.55) CNR2CNR1NISCHCA1CA2
SCHEMBL6612866 1.00 CNR2 (0.55) CNR2CNR1NISCHCA1CA2
SCHEMBL6607859 0.94 CNR2 (0.53) CNR2CNR1NISCHCA1CA2
SCHEMBL6609622 0.91 CNR2 (0.59) CNR2CNR1NISCHCA1CA2
SCHEMBL6609754 0.80 CNR2 (0.54) CNR2CNR1NISCHCA1CA2
SCHEMBL6523491 0.75 CNR2 (0.75) CNR2CNR1NISCHCA1CA2
SCHEMBL1929381 0.74 CNR2 (0.72) CNR2CNR1CA1CA2PTGS2
SCHEMBL2339833 0.74 CNR2 (0.58) CNR2CNR1NISCHGAA
Hydrochloric Acid SCHEMBL1929103 0.73 CNR2 (0.57) CNR2CNR1NISCHGAA
SCHEMBL197161 0.73 CNR2 (0.71) CNR2CNR1CA1CA2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 — — EP claimed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 — — WO claimed
EP-1379514-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND APPLICATION THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-01-14 — — EP disclosed
WO-2002083656-A2 5-MEMBERED HETEROCYCLES, PREPARATION AND USE THEREOF AS MAO INHIBITORS AND LIPID PEROXIDATION INHIBITORS, PREPARATION THEREOF AND USE THEREOF AS MEDICAMENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-10-24 — — WO disclosed
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