SCHEMBL7895058

SCHEMBL7895058

C[C@H]1CN(C(=O)Nc2ccc(F)cc2F)CCN1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NTRK1 P04629 9/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
GRIN2B Q13224 1/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
OPRM1 P35372 1/20 0.48
THRB P10828 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
SCHEMBL30965826 0.84 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL653099 0.84 TAS1R3 (0.62) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL13450334 0.79 THRB (0.63) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL3720026 0.78 GRIN2B (0.54) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL30008791 0.77 EEF2K (0.69) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL16178762 0.77 SMN1; SMN2 (0.54) MAPTSMN1; SMN2NTRK1HTTTP53
SCHEMBL16178800 0.76 RAB9A (0.43) MAPTSMN1; SMN2NTRK1GRIN2BTP53
SCHEMBL16178811 0.76 XIAP (0.44) NTRK1ALDH1A1TP53POLB
SCHEMBL5470045 0.76 TAS1R3 (0.66) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2
SCHEMBL30008966 0.76 THRB (0.69) TAS1R3TAS1R1TAS1R2MAPTSMN1; SMN2

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-2010102663-A1 PIPERAZINE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2010-09-16 WO disclosed