SCHEMBL21893541

SCHEMBL21893541

CC(C)(C)OC(=O)N1CCc2c(nn(-c3ccccc3)c2OS(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.43
GRM5 P41594 1/20 0.41
GRM1 Q13255 1/20 0.41
C5AR1 P21730 4/20 0.41
PDK2 Q15119 2/20 0.41
PARP1 P09874 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
F12 P00748 1/20 0.41
GPR119 Q8TDV5 1/20 0.40
P2RX3 P56373 2/20 0.39
HPGDS O60760 1/20 0.39
PIK3CA P42336 1/20 0.38
ESR2 Q92731 1/20 0.38
POLB P06746 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2075004 0.93 GPR119 (0.43) GRM5GRM1C5AR1PDK2GPR119
SCHEMBL2075842 0.92 C5AR1 (0.47) NTRK1GRM5GRM1C5AR1PDK2
SCHEMBL2075984 0.85 MEN1 (0.45) C5AR1PDK2GPR119MAPT
SCHEMBL2075003 0.84 TP53 (0.43) C5AR1GPR119HPGDSPOLBMAPT
SCHEMBL2076298 0.84 HPGDS (0.49) GRM5GRM1C5AR1GPR119HPGDS
SCHEMBL16036018 0.84 ADORA1 (0.41) C5AR1PARP1TNKS2PARP2F12
SCHEMBL2076536 0.84 POLB (0.40) C5AR1GPR119HPGDSPOLB
SCHEMBL18493654 0.83 MAPT (0.47) C5AR1P2RX3MAPT
SCHEMBL4696960 0.83 PDK2 (0.36) NTRK1PDK2ADORA1
SCHEMBL2075616 0.81 MEN1 (0.47) C5AR1MAPT

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-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed