SCHEMBL20113020

SCHEMBL20113020

Cc1ccc(CNC(=O)C2c3ccccc3CC(=O)N2CC2CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.68
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
PKM P14618 1/20 0.45
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.41

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
SCHEMBL20113106 0.90 GRM7 (0.74) GRM7ALDH1A1KMT2ASMN1; SMN2SCN5A
SCHEMBL20113104 0.90 GRM7 (0.74) GRM7ALDH1A1KMT2ASMN1; SMN2SCN5A
SCHEMBL20113019 0.90 GRM7 (0.68) GRM7ALDH1A1KMT2ASCN5ASCN9A
SCHEMBL20113021 0.85 GRM7 (0.78) GRM7ALDH1A1KMT2AGAA
SCHEMBL20113080 0.85 GRM7 (0.74) GRM7ALDH1A1KMT2ASCN5ASCN9A
SCHEMBL20112964 0.84 GRM7 (0.49) GRM7ALDH1A1KMT2ASMN1; SMN2CYP3A4
SCHEMBL20113084 0.83 GRM7 (0.66) GRM7ALDH1A1KMT2ASMN1; SMN2SCN5A
SCHEMBL20113103 0.83 GRM7 (0.65) GRM7KMT2A
SCHEMBL19960417 0.82 GRM7 (0.66) GRM7GAA
SCHEMBL20113026 0.81 GRM7 (0.74) GRM7KMT2ANPC1

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-2018079862-A1 MGLUR7 MODULATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-03 WO disclosed