SCHEMBL6921909

SCHEMBL6921909

CN(C(=O)c1cccc(C(F)(F)F)c1)C1CCCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
RAB9A P51151 2/20 0.63
GPR142 Q7Z601 6/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
NPC1 O15118 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
TAS1R2 Q8TE23 1/20 0.53
PDK2 Q15119 1/20 0.52
CES2 O00748 1/20 0.51
LMNA P02545 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRL1 P41146 1/20 0.51

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
SCHEMBL9001768 0.87 POLB (0.62) POLBRAB9AALDH1A1HPGDKDM4E
SCHEMBL23716727 0.85 GPR142 (0.61) POLBRAB9AGPR142KMT2ATAS1R3
SCHEMBL17008891 0.85 GPR142 (0.61) POLBRAB9AGPR142KMT2ATAS1R3
SCHEMBL20473390 0.85 GPR142 (0.61) POLBRAB9AGPR142KMT2ATAS1R3
SCHEMBL17008901 0.82 GPR142 (0.61) POLBRAB9AGPR142TAS1R3TAS1R1
SCHEMBL19797862 0.82 GPR142 (0.61) POLBRAB9AGPR142TAS1R3TAS1R1
SCHEMBL2227459 0.81 POLB (0.66) POLBRAB9AALDH1A1HPGDKDM4E
SCHEMBL3457039 0.81 ALDH1A1 (0.57) POLBRAB9AALDH1A1HPGDKDM4E
SCHEMBL23716711 0.81 GPR142 (0.65) POLBRAB9AGPR142TAS1R3TAS1R1
SCHEMBL23839836 0.80 HSD11B1 (0.58) POLBRAB9AGPR142ALDH1A1HPGD

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-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO claimed