SCHEMBL7644965

SCHEMBL7644965

N[C@@]12C=C[C@@H](C[C@H]1C(=O)O)C2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
GRM4 Q14833 9/20 0.36
CYP1A2 P05177 4/20 0.36
GRM6 O15303 4/20 0.36
CYP2C19 P33261 3/20 0.36
ALOX15 P16050 3/20 0.36
GRM8 O00222 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GRM2 Q14416 9/20 0.32
GRM3 Q14832 6/20 0.32
GRM5 P41594 5/20 0.32
GRM1 Q13255 3/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32

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
SCHEMBL7130933 1.00 SLC6A4 (0.39) SLC6A4GRM4CYP1A2GRM6CYP2C19
SCHEMBL3708394 0.85 KMT2A (0.33) KMT2A
SCHEMBL3708393 0.85 KMT2A (0.33) KMT2A
SCHEMBL29552767 0.81 GRM4 (0.38) SLC6A4GRM4CYP1A2GRM6CYP2C19
SCHEMBL29552402 0.79 ATM (0.33)
SCHEMBL950832 0.73 GRM4 (0.32) SLC6A4GRM4CYP1A2GRM6CYP2C19
SCHEMBL3173540 0.73 SLC6A4 (0.32) SLC6A4
SCHEMBL2126599 0.73 SLC6A4 (0.35) SLC6A4GRM4CYP1A2GRM6CYP2C19
SCHEMBL1518812 0.73 APLNR (0.34) SLC6A4
SCHEMBL14053058 0.73 GRM2 (0.46) GRM2GRM5GRM1

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-2002024750-A2 HUMAN KIDNEY TUMOR OVEREXPRESSED MEMBRANE PROTEIN 1 AEOMICA, INC. (US) 2002-03-28 WO disclosed