SCHEMBL20112964

SCHEMBL20112964

CCCCN1C(=O)Cc2ccccc2C1C(=O)NCc1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
PKM P14618 1/20 0.42
XIAP P98170 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL20113020 0.84 GRM7 (0.68) GRM7ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL20113178 0.82 GRM7 (0.54) GRM7ALDH1A1KMT2AMEN1
SCHEMBL20112963 0.82 GRM7 (0.49) GRM7
SCHEMBL20113104 0.74 GRM7 (0.74) GRM7ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL20113019 0.74 GRM7 (0.68) GRM7ALDH1A1KMT2AXIAP
SCHEMBL20113106 0.74 GRM7 (0.74) GRM7ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL20113177 0.71 GRM7 (0.52) GRM7
SCHEMBL20113084 0.71 GRM7 (0.66) GRM7ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL20113021 0.70 GRM7 (0.78) GRM7ALDH1A1KMT2AGAAMEN1
SCHEMBL20113080 0.70 GRM7 (0.74) GRM7ALDH1A1KMT2AGAARAB9A

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