SCHEMBL5068679

SCHEMBL5068679

COOC[C@H]1CCCN1c1nc2ccccc2o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
HTR3A P46098 1/20 0.49
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 5/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 6/20 0.40
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
MEN1 O00255 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40

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
SCHEMBL5021501 0.82 CHRNA7 (0.48) CHRNA7HTR3AKMT2AGAALMNA
SCHEMBL30097204 0.82 CHRNA7 (0.43) CHRNA7HTR3AKMT2AGAALMNA
SCHEMBL5672184 0.81 CHRNA7 (0.54) CHRNA7HTR3AKMT2AGAALMNA
SCHEMBL5672002 0.81 CHRNA7 (0.54) CHRNA7HTR3AKMT2AGAALMNA
SCHEMBL7921396 0.80 TSHR (0.44) CHRNA7HTR3AKMT2AGAALMNA
SCHEMBL9032183 0.77 CHRNA7 (0.43) CHRNA7HTR3ALMNAMAPTALDH1A1
SCHEMBL9032175 0.77 CHRNA7 (0.43) CHRNA7HTR3ALMNAMAPTALDH1A1
SCHEMBL9030802 0.77 CHRNA7 (0.58) CHRNA7HTR3AKMT2ALMNAMAPT
SCHEMBL9030809 0.77 CHRNA7 (0.58) CHRNA7HTR3AKMT2AGAALMNA
SCHEMBL24824337 0.74 TLR7 (0.46) KMT2AGAAMAPTALDH1A1MEN1

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