SCHEMBL21779877

SCHEMBL21779877

CC(C)N1CC(NC(=O)c2cccc(F)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.57
KDM5A P29375 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CCR3 P51677 1/20 0.48
CHRNB2 P17787 1/20 0.48
SLC6A2 P23975 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48
SLC6A3 Q01959 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RB1 P06400 1/20 0.47

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
SCHEMBL10212614 0.88 GRM5 (0.62) GRM5L3MBTL1KDM5AKMT2AMEN1
SCHEMBL20147585 0.87 KMT2A (0.61) GRM5L3MBTL1KDM5AKMT2AMEN1
SCHEMBL1116603 0.79 GRM5 (0.77) GRM5L3MBTL1KMT2AMEN1HDAC1
SCHEMBL13847098 0.77 KMT2A (0.65) GRM5L3MBTL1KMT2AMEN1CCR3
SCHEMBL29973192 0.77 KMT2A (0.65) GRM5L3MBTL1KMT2AMEN1CCR3
SCHEMBL13294374 0.76 GRM5 (0.81) GRM5L3MBTL1KMT2AMEN1
SCHEMBL3462086 0.76 GRM5 (0.71) GRM5L3MBTL1KMT2AMEN1HDAC1
SCHEMBL30804734 0.76 GRM5 (0.67) GRM5L3MBTL1KMT2AMEN1HDAC1
SCHEMBL1366139 0.75 HPGDS (0.51) KDM5A
SCHEMBL21779907 0.75 GAA (0.50) GRM5KDM5AKMT2AMEN1CCR3

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
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed