SCHEMBL7869948

SCHEMBL7869948

C=C[C@@H]1CC[C@@H](CCOc2ccc(C(F)(F)F)cn2)NC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.35
LIPE Q05469 5/20 0.35
HPGD P15428 1/20 0.34
SCN9A Q15858 4/20 0.34
FFAR1 O14842 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL608698 0.77 HPGD (0.36) LNPEPLIPEHPGDSCN9AMRGPRX4
SCHEMBL5793193 0.72 HPGD (0.44) LIPEHPGDSCN9AMRGPRX4MAPK1
SCHEMBL23708686 0.72 EPHX2 (0.48) LIPEHPGDMAPK1KMT2ATSHR
SCHEMBL24529873 0.72 LNPEP (0.44) LNPEPLIPEHPGDSCN9AFFAR1
SCHEMBL5763749 0.71 HPGD (0.47) HPGDSCN9AMRGPRX4MAPK1KMT2A
SCHEMBL9895811 0.71 LIPE (0.41) LIPEHPGDMAPK1TSHRSMN1; SMN2
SCHEMBL3159889 0.68 HPGD (0.48) LIPEHPGDMRGPRX4MAPK1KMT2A
SCHEMBL10121582 0.67 HPGD (0.38) LIPEHPGDSCN9AMRGPRX4MAPK1
SCHEMBL9895397 0.67 LNPEP (0.34) LNPEP
SCHEMBL22761804 0.66 LTA4H (0.57) SCN9A

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-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed