SCHEMBL5021501

SCHEMBL5021501

O=COC[C@H]1CCCN1c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
HTR3A P46098 1/20 0.48
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
LMNA P02545 6/20 0.41
TSHR P16473 5/20 0.41

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
SCHEMBL9032183 0.83 CHRNA7 (0.43) CHRNA7HTR3ALMNATSHRMAPT
SCHEMBL9032175 0.83 CHRNA7 (0.43) CHRNA7HTR3ALMNATSHRMAPT
SCHEMBL5068679 0.82 CHRNA7 (0.49) CHRNA7HTR3AGABRPGABRDGABRA1
SCHEMBL5672002 0.80 CHRNA7 (0.54) CHRNA7HTR3AGABRPGABRDGABRA1
SCHEMBL5672184 0.80 CHRNA7 (0.54) CHRNA7HTR3AGABRPGABRDGABRA1
SCHEMBL7921396 0.79 TSHR (0.44) CHRNA7HTR3AGABRPGABRDGABRA1
SCHEMBL30097204 0.77 CHRNA7 (0.43) CHRNA7HTR3ALMNAMAPTKMT2A
SCHEMBL9030802 0.76 CHRNA7 (0.58) CHRNA7HTR3AGABRPGABRDGABRA1
SCHEMBL9311188 0.74 HPGD (0.53) GAA
SCHEMBL9032763 0.74 HPGD (0.53) GAA

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-8178666-B2 2-aminobenzoxazole process ALBANY MOLECULAR RESEARCH, INC. (US) 2012-05-15 US disclosed