SCHEMBL24359141

SCHEMBL24359141

CC(C)N1CC(C)(C)Oc2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.38
AKR1B1 P15121 3/20 0.36
GRM5 P41594 3/20 0.32
TRPV1 Q8NER1 4/20 0.32
ALK Q9UM73 1/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
AMPD2 Q01433 2/20 0.31
CFTR P13569 1/20 0.31
F2RL1 P55085 1/20 0.30

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
SCHEMBL24359289 0.81 NR3C2 (0.40) NR3C2AKR1B1GRM5TRPV1
SCHEMBL17169809 0.78 NISCH (0.37)
SCHEMBL22938912 0.73 PGR (0.34) NR3C2TRPV1
SCHEMBL20345686 0.72 NPY5R (0.40) AKR1B1
SCHEMBL22482139 0.70 SLC6A2 (0.51) SLC6A2SLC6A4
SCHEMBL22938911 0.70 ABCB1 (0.35)
SCHEMBL27659846 0.66 SLC6A2 (0.41) SLC6A2SLC6A4
SCHEMBL15724661 0.65 AKR1B1 (0.46) AKR1B1
SCHEMBL18707375 0.63 AKR1B1 (0.44) NR3C2AKR1B1TRPV1
SCHEMBL3319434 0.62 KCNE1 (0.44) AKR1B1TRPV1CFTR

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-2022087624-A1 COMPOUNDS AS RAS INHIBITORS AND USES THEREOF BIOARDIS LLC (US) 2022-04-28 WO disclosed