SCHEMBL25650296

SCHEMBL25650296

CC(C)CCc1c(F)cc(F)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
LMNA P02545 1/20 0.34
XBP1 P17861 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DAO P14920 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CNR1 P21554 1/20 0.32
RIPK1 Q13546 1/20 0.32
PDE4D Q08499 1/20 0.31
NNMT P40261 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
SCHEMBL10202992 0.77 TAAR1 (0.41) GCGRTAAR1LMNAXBP1SMN1; SMN2
SCHEMBL8293335 0.77 GRIN2D (0.42) LMNASMN1; SMN2L3MBTL1
SCHEMBL12304304 0.76 HPGD (0.34) TAAR1RIPK1
SCHEMBL13886438 0.74 IDO1 (0.38) GCGRTAAR1DAONOS3NOS1
SCHEMBL10193863 0.73 TAAR1 (0.40) GCGRTAAR1CNR1RIPK1
SCHEMBL14011594 0.73 KDM4E (0.44) LMNAL3MBTL1
SCHEMBL15736241 0.73 TAAR1 (0.35) TAAR1
SCHEMBL25215509 0.72 TYR (0.46) GCGRTAAR1RIPK1
SCHEMBL434483 0.72 IDO1 (0.46) GCGRSMN1; SMN2DAO
SCHEMBL22605858 0.70 GCGR (0.34) GCGRLMNAXBP1SMN1; SMN2NPSR1

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-2023114516-A2 CELL-PERMEANT INHIBITORS OF VIRAL CYSTEINE PROTEASES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-06-22 WO disclosed