SCHEMBL8801965

SCHEMBL8801965

COCc1c(OC(=O)OC(C)C)ncc2c1c1c(Oc3ccc([N+](=O)[O-])cc3)cccc1n2CC(=O)N(C)CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 18/20 0.38
▸ LTB4R2 Q9NPC1 17/20 0.38
▸ PKM P14618 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
SCHEMBL8801356 0.93 LTB4R (0.40) LTB4RLTB4R2PKM
SCHEMBL8801516 0.87 LTB4R (0.50) LTB4RLTB4R2
SCHEMBL8802594 0.81 LTB4R (0.42) LTB4RLTB4R2PKM
SCHEMBL8801953 0.79 LTB4R (0.53) LTB4RLTB4R2
SCHEMBL8801777 0.79 LTB4R (0.56) LTB4RLTB4R2
SCHEMBL8806843 0.78 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL8805234 0.76 TSPO (0.43) LTB4RLTB4R2
SCHEMBL8802251 0.75 GABRP (0.37) LTB4RLTB4R2
SCHEMBL8802622 0.75 GABRA1 (0.41) —
SCHEMBL8801587 0.74 PLA2G2A (0.41) —

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-0805810-A1 NOVEL 9H-PYRIDO 3,4-B]INDOL DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1997-11-12 — — EP disclosed
WO-1996022989-A1 NOVEL 9H-PYRIDO[3,4-B]INDOL DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1996-08-01 — — WO disclosed
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