SCHEMBL7703380

SCHEMBL7703380

CC(C)(N)c1ccc(B(O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.60
ENPP2 Q13822 5/20 0.48
CA2 P00918 4/20 0.48
LPL P06858 3/20 0.48
LIPG Q9Y5X9 3/20 0.48
TRPV1 Q8NER1 3/20 0.47
PDE2A O00408 1/20 0.45
CA1 P00915 3/20 0.43
ORAI1 Q96D31 1/20 0.43
ORAI2 Q96SN7 1/20 0.43
ORAI3 Q9BRQ5 1/20 0.43
TRPV6 Q9H1D0 1/20 0.43
TSHR P16473 1/20 0.42
F11 P03951 1/20 0.41
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 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
SCHEMBL27736 0.80 TRPV1 (0.66) MGLLENPP2CA2LPLLIPG
SCHEMBL1706121 0.79 PDE2A (0.62) PDE2ATSHR
SCHEMBL722182 0.78 MGLL (0.56) MGLLENPP2CA2LPLLIPG
SCHEMBL24335819 0.76 MGLL (0.67) MGLLENPP2CA2LPLLIPG
SCHEMBL2558888 0.76 TAAR1 (0.54) MGLLENPP2CA2LPLLIPG
SCHEMBL25413876 0.76 MGLL (0.79) MGLLENPP2CA2LPLLIPG
SCHEMBL4179 0.75 MGLL (1.00) MGLLENPP2CA2LPLLIPG
SCHEMBL257878 0.74 TRPV1 (0.59) MGLLENPP2CA2LPLLIPG
SCHEMBL5510327 0.74 TRPV1 (0.59) MGLLENPP2CA2LPLLIPG
SCHEMBL28120485 0.74 TRPV1 (0.59) MGLLENPP2CA2LPLLIPG

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
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed