SCHEMBL8801888

SCHEMBL8801888

COCc1c(C=O)ncc2c1c1c(OCc3ccccc3)cccc1n2CC(=O)N(C)CCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 19/20 0.53
▸ LTB4R2 Q9NPC1 17/20 0.53
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ GABRG1 Q8N1C3 1/20 0.39
▸ GABRG3 Q99928 1/20 0.39
▸ GABRQ Q9UN88 1/20 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
SCHEMBL8802166 0.89 LTB4R (0.55) LTB4RLTB4R2GABRPGABRDGABRA1
SCHEMBL8802375 0.88 LTB4R (0.46) LTB4RLTB4R2
SCHEMBL8801953 0.87 LTB4R (0.53) LTB4RLTB4R2GABRPGABRDGABRA1
SCHEMBL8801516 0.84 LTB4R (0.50) LTB4RLTB4R2GABRPGABRDGABRA1
SCHEMBL8801942 0.79 TSPO (0.45) LTB4RLTB4R2GABRPGABRDGABRA1
SCHEMBL8802594 0.77 LTB4R (0.42) LTB4RLTB4R2GABRPGABRDGABRA1
SCHEMBL8806843 0.76 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL8801356 0.74 LTB4R (0.40) LTB4RLTB4R2
SCHEMBL9023753 0.74 LTB4R (0.69) LTB4RLTB4R2
SCHEMBL9023751 0.74 LTB4R (0.69) 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 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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