SCHEMBL8425583

SCHEMBL8425583

NC1(C(=O)O)C[C@H]2C[C@@H]1[C@@H]1CCCC21

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 7/20 0.56
GRM5 P41594 5/20 0.56
GRM1 Q13255 4/20 0.56
GRM6 O15303 3/20 0.56
GRM4 Q14833 2/20 0.56
GRM3 Q14832 2/20 0.56
ARG1 P05089 7/20 0.44
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
SLC6A4 P31645 1/20 0.37
GRM8 O00222 1/20 0.36

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
SCHEMBL8425584 1.00 GRM2 (0.56) GRM2GRM5GRM1GRM6GRM4
SCHEMBL9457660 0.86 GRM5 (0.40) GRM2GRM5GRM1GRM6GRM4
SCHEMBL4692276 0.72 GRM2 (1.00) GRM2GRM5GRM1GRM6GRM4
SCHEMBL25660648 0.70 GRM1 (0.62) GRM2GRM5GRM1GRM6GRM4
SCHEMBL670022 0.70 GRM1 (0.62) GRM2GRM5GRM1GRM6GRM4
SCHEMBL10577620 0.70 GRM1 (0.62) GRM2GRM5GRM1GRM6GRM4
SCHEMBL22268519 0.69 ALDH1A1 (0.42) ALDH1A1GAAMAPT
SCHEMBL1101525 0.69 GRM2 (0.50) GRM2GRM5GRM1GRM6GRM4
SCHEMBL25662353 0.67 GRM2 (0.50) GRM2GRM5GRM1GRM6GRM4
SCHEMBL2562686 0.67 GRM2 (0.50) GRM2GRM5GRM1GRM6GRM4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872104-A BACTERICIDES AND RESISTANT BACTERIA WITH METHYLATION INHIBITORS ORIDIGM CORPORATION (US) 1999-02-16 US disclosed
WO-1996020010-A1 COMBINATION FOR REDUCING ANTIMICROBIAL RESISTANCE USING A METHYLATION INHIBITOR IN COMBINATION WITH AN ANTIBIOTIC ORIDIGM CORPORATION (US) 1996-07-04 WO disclosed