SCHEMBL8801587

SCHEMBL8801587

COCc1c(OC(=O)OC(C)C)ncc2c1c1c(OCc3ccccc3)cccc1n2Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 16/20 0.41
▸ PLA2G10 O15496 3/20 0.40
▸ PLA2G2E Q9NZK7 3/20 0.40
▸ PLA2G2F Q9BZM2 2/20 0.40
▸ PLA2G2D Q9UNK4 2/20 0.40
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39
▸ GABRG1 Q8N1C3 2/20 0.39
▸ GABRG3 Q99928 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
SCHEMBL8802251 0.90 GABRP (0.37) PLA2G2APLA2G10PLA2G2EPLA2G2FPLA2G2D
SCHEMBL8802594 0.87 LTB4R (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8801516 0.87 LTB4R (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8805234 0.86 TSPO (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8472963 0.86 GABRP (0.52) PLA2G2APLA2G10PLA2G2EPLA2G2FPLA2G2D
SCHEMBL8801270 0.85 GABRP (0.36) PLA2G2AGABRPGABRDGABRA1GABRB1
SCHEMBL8803022 0.83 GABRP (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8802720 0.83 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8801428 0.80 GABRA1 (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8805512 0.79 GABRP (0.42) PLA2G2AGABRPGABRDGABRA1GABRB1

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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