SCHEMBL8145288

SCHEMBL8145288

c1ccc2c(c1)OCc1nncn1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.43
GABRP O00591 6/20 0.43
GABRD O14764 6/20 0.43
GABRA1 P14867 6/20 0.43
GABRB1 P18505 6/20 0.43
GABRG2 P18507 6/20 0.43
GABRB3 P28472 6/20 0.43
GABRA5 P31644 6/20 0.43
GABRA3 P34903 6/20 0.43
GABRA2 P47869 6/20 0.43
GABRB2 P47870 6/20 0.43
GABRA4 P48169 6/20 0.43
GABRE P78334 6/20 0.43
GABRA6 Q16445 6/20 0.43
GABRG1 Q8N1C3 6/20 0.43
GABRG3 Q99928 6/20 0.43
GABRQ Q9UN88 6/20 0.43
THRB P10828 2/20 0.40
MAPT P10636 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL5278269 0.78 AVPR1A (0.38) OPRK1PDE4DALDH1A1RIPK1
SCHEMBL16601607 0.78 GABRG2 (0.35) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL8182091 0.78 BLM (0.51) GABRG2GABRB3GABRA5THRBMAPT
Hydrochloric Acid SCHEMBL5277480 0.77 AVPR1A (0.38) OPRK1PDE4DALDH1A1RIPK1
SCHEMBL9851802 0.73 CYP11B2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL432928 0.72 GRM5 (0.43) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL11778334 0.71 CYP11B2 (0.54) HSD17B3OPRK1PDE4DLMNAALDH1A1
SCHEMBL10735133 0.70 THRB (0.43) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL20904025 0.70 AADAT (0.44) GRM5GABRPGABRDGABRA1GABRB1
SCHEMBL10729236 0.70 THRB (0.43) GRM5GABRPGABRDGABRA1GABRB1

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
EP-1054889-A1 NEW OXAZOLIDINONES WITH AZOL-CONTAINING TRICYCLES Bayer Aktiengesellschaft (DE) 2000-11-29 EP disclosed
EP-1029854-A1 Oxazolidinones and their use as antibacterial agents BAYER AG (DE) 2000-08-23 EP disclosed
WO-1999040094-A1 AGENT FOR SEALING METALLIC GROUND COATS, ESPECIALLY GROUND COATS CONSISTING OF ZINC OR ZINC ALLOYS BAYER AKTIENGESELLSCHAFT (DE) 1999-08-12 WO disclosed