SCHEMBL25328181

SCHEMBL25328181

CC1CN(C(=O)C(=O)OCC(F)(F)F)C(c2ccccc2)CN1C1CC1.CC1CN(C(=O)C(N)=O)C(c2ccccc2)CN1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.37
FABP7 O15540 1/20 0.35
PRMT5 O14744 3/20 0.34
SCN9A Q15858 2/20 0.33
RIPK1 Q13546 4/20 0.33
PDK1 Q15118 2/20 0.32
PDK2 Q15119 2/20 0.32
PDK3 Q15120 2/20 0.32
PDK4 Q16654 2/20 0.32
HCRTR1 O43613 1/20 0.32
WDR77 Q9BQA1 2/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A9 P48067 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
SCHEMBL30523039 1.00 TACR1 (0.37) TACR1FABP7PRMT5SCN9ARIPK1
SCHEMBL30522989 0.96 TACR1 (0.38) TACR1FABP7PRMT5SCN9ARIPK1
SCHEMBL25325851 0.96 TACR1 (0.38) TACR1FABP7PRMT5SCN9ARIPK1
SCHEMBL25329263 0.95 FABP7 (0.38) TACR1FABP7PRMT5SCN9ARIPK1
SCHEMBL25329259 0.95 FABP7 (0.38) TACR1FABP7PRMT5SCN9ARIPK1
SCHEMBL25327878 0.91 FABP7 (0.37) TACR1FABP7SCN9ARIPK1PDK1
SCHEMBL25327880 0.91 FABP7 (0.37) TACR1FABP7SCN9ARIPK1PDK1
SCHEMBL25327418 0.88 FABP7 (0.32) TACR1FABP7RIPK1PDK1PDK2
SCHEMBL25327731 0.85 PRMT5 (0.41) PRMT5RIPK1WDR77
SCHEMBL25327730 0.85 PRMT5 (0.41) PRMT5RIPK1WDR77

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-2023146991-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed