SCHEMBL7680833

SCHEMBL7680833

O=C(O)C1(C2NCCc3c2[nH]c2cc(C(F)(F)F)ccc32)CCC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
PRMT5 O14744 1/20 0.41
EGFR P00533 1/20 0.41
MPL P40238 1/20 0.41
KIF11 P52732 9/20 0.39
MAPKAPK2 P49137 4/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK10 P53779 1/20 0.36
RIPK1 Q13546 1/20 0.36

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
SCHEMBL7853762 0.92 S1PR1 (0.47) S1PR1PRMT5EGFRMPLMAPKAPK2
Hydrochloric Acid SCHEMBL7677790 0.85 KMT2A (0.40) S1PR1PRMT5EGFRMPLKIF11
SCHEMBL7676904 0.84 SIRT1 (0.43) MAPKAPK2
SCHEMBL7682184 0.81 S1PR1 (0.47) S1PR1MAPKAPK2
SCHEMBL7676958 0.81 MAPKAPK2 (0.60) PRMT5EGFRMAPKAPK2
SCHEMBL7843811 0.80 MAPKAPK2 (0.63) MAPKAPK2
SCHEMBL7852507 0.79 MAPKAPK2 (0.45) S1PR1MAPKAPK2
SCHEMBL7850754 0.79 MAPKAPK2 (0.40) MAPKAPK2
SCHEMBL7851653 0.78 MAPKAPK2 (0.62) MAPKAPK2
SCHEMBL7850944 0.78 AR (0.43) S1PR1MAPKAPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed
EP-1070716-A1 Beta-carboline derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-01-24 EP disclosed