SCHEMBL8892402

SCHEMBL8892402

CCC1(C(=O)O)C2CC(Cc3ccc(F)c(C)c3)C(C#N)(C(=O)CN)C21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.33
GRM3 Q14832 2/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 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
SCHEMBL8892810 1.00 GRM2 (0.33) GRM2GRM3SLC6A2SLC6A4SLC6A3
SCHEMBL8902155 0.93 GRM2 (0.34) GRM2GRM3
SCHEMBL8892171 0.86 GRM2 (0.37) GRM2GRM3SLC6A2SLC6A4
SCHEMBL8892694 0.86
SCHEMBL8894509 0.86 TSHR (0.30) GRM2GRM3
SCHEMBL8764713 0.85 ALDH1A1 (0.33) GRM2GRM3
SCHEMBL8891106 0.85 MAOA (0.30)
SCHEMBL8892210 0.82
SCHEMBL8891969 0.81
SCHEMBL8764447 0.81

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-1997017950-A1 SHOULDER PROSTHESIS ELI LILLY AND COMPANY (US) 1997-05-22 WO disclosed