SCHEMBL8477735

SCHEMBL8477735

CN(C)C(=O)c1ncc2c(c1CO)c1cc(OCc3ccccc3)ccc1n2CC(=O)N(C)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 19/20 0.61
▸ LTB4R2 Q9NPC1 18/20 0.61

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
SCHEMBL8803323 0.88 LTB4R (0.59) LTB4RLTB4R2
SCHEMBL8802549 0.82 LTB4R (0.60) LTB4RLTB4R2
SCHEMBL8801777 0.79 LTB4R (0.56) LTB4RLTB4R2
Bicarbonate SCHEMBL8802221 0.78 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL7135453 0.71 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL9022424 0.71 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8802375 0.70 LTB4R (0.46) LTB4RLTB4R2
SCHEMBL8802166 0.70 LTB4R (0.55) LTB4RLTB4R2
SCHEMBL9023176 0.70 LTB4R (0.85) LTB4RLTB4R2
SCHEMBL8802304 0.69 LTB4R (0.44) LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880126-A 9H-Pyridu ((3,4-b) indole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1999-03-09 — — US disclosed
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