SCHEMBL9870858

SCHEMBL9870858

CNc1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
NPY5R Q15761 14/20 0.53
KMT2A Q03164 1/20 0.48
CTSK P43235 1/20 0.48
MAT2A P31153 1/20 0.47

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
SCHEMBL21904916 0.86 POLB (0.71) POLBNPY5RKMT2A
SCHEMBL9871019 0.83 POLB (0.57) POLBNPY5RKMT2A
SCHEMBL9594529 0.82 POLB (0.67) POLBNPY5RKMT2A
SCHEMBL9525617 0.82 POLB (0.71) POLBNPY5RKMT2A
SCHEMBL9592489 0.82 POLB (0.67) POLBNPY5RKMT2ACTSK
SCHEMBL9871568 0.81 POLB (0.60) POLBNPY5RKMT2A
SCHEMBL9871775 0.81 MAPK1 (0.59)
SCHEMBL9869664 0.80 POLB (0.65) POLBNPY5RKMT2ACTSK
SCHEMBL9593791 0.80 POLB (0.65) POLBNPY5RKMT2ACTSK
SCHEMBL9184563 0.79 POLB (1.00) POLBNPY5RKMT2A

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-5059599-A Anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1991-10-22 US disclosed