SCHEMBL8506252

SCHEMBL8506252

CCCCCCCCn1c(-c2cccc3ccccc23)cc2c(O)cc(CCCCCC)cc21

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 12/20 0.44
▸ CNR1 P21554 4/20 0.41
▸ RORA P35398 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ RORB Q92753 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ TLR8 Q9NR97 2/20 0.39

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
SCHEMBL8506254 0.84 CNR2 (0.42) CNR2CNR1RORARORCRORB
SCHEMBL4856635 0.79 CNR2 (0.49) CNR2CNR1SLC6A3TLR8
SCHEMBL14051803 0.73 PTGS2 (0.51) CNR2CNR1ALDH1A1SLC6A3
SCHEMBL21501948 0.69 KDM4E (0.49) CNR2CNR1RORARORCRORB
SCHEMBL8505497 0.69 KDM4E (0.55) CNR2CNR1ALDH1A1TLR8
SCHEMBL30641152 0.67 CNR2 (0.42) CNR2CNR1ALDH1A1SLC6A3
Decane SCHEMBL9931523 0.67 CNR1 (0.51) CNR2CNR1ALDH1A1TLR8
Tetradecane SCHEMBL9931525 0.67 CNR1 (0.51) CNR2CNR1ALDH1A1TLR8
SCHEMBL30641161 0.65 TLR8 (0.55) CNR2CNR1TLR8
SCHEMBL31498033 0.65 CNR2 (0.59) CNR2CNR1ALDH1A1SLC6A3TLR8

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
US-5986106-A Process for preparing 4-substituted-1H-indole-3-glyoxamides ELI LILLY AND COMPANY (US) 1999-11-16 — — US disclosed
WO-1999000360-A1 PROCESS FOR PREPARING 4-SUBSTITUTED-1H-INDOLE-3-GLYOXAMIDES ELI LILLY AND COMPANY (US) 1999-01-07 — — WO disclosed
EP-0887342-A2 Process for preparing 4-substituted-1H-indole-3-glyoxamides ELI LILLY AND COMPANY (US) 1998-12-30 — — EP disclosed
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