SCHEMBL6860683

SCHEMBL6860683

S[C@H]1CN[C@H](COCc2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
TAAR1 Q96RJ0 1/20 0.39
TACR1 P25103 1/20 0.38
LTA4H P09960 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38

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
SCHEMBL10517566 0.84 BCHE (0.54) BCHEACHELMNATSHRTAAR1
SCHEMBL10517572 0.84 BCHE (0.54) BCHEACHELMNATSHRTAAR1
SCHEMBL3906686 0.83 BCHE (0.55) BCHEACHELMNATSHRTAAR1
SCHEMBL19249780 0.81 BCHE (0.52) BCHEACHELMNATSHRCTSL
SCHEMBL27500080 0.81 BCHE (0.52) BCHEACHELMNATSHRCTSL
SCHEMBL13759699 0.81 BCHE (0.52) BCHEACHELMNATSHRCTSL
SCHEMBL26579183 0.80 BCHE (0.45) BCHEACHELMNATSHRTAAR1
SCHEMBL7915130 0.80 BCHE (0.48) BCHEACHELMNATSHR
SCHEMBL7915133 0.80 BCHE (0.48) BCHEACHELMNATSHR
SCHEMBL7915444 0.80 BCHE (0.48) BCHEACHELMNATSHR

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-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed