SCHEMBL6225595

SCHEMBL6225595

NC1(C(=O)O)CCCC1CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.60
GRM5 P41594 1/20 0.60
GRM1 Q13255 1/20 0.60
ARG1 P05089 5/20 0.57
ARG2 P78540 4/20 0.57
GRM4 Q14833 5/20 0.38
GRM8 O00222 4/20 0.38
GRM6 O15303 3/20 0.38
GRM3 Q14832 1/20 0.38
SLC6A4 P31645 1/20 0.35

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
SCHEMBL6225584 1.00 GRM2 (0.60) GRM2GRM5GRM1ARG1ARG2
SCHEMBL6225590 1.00 GRM2 (0.60) GRM2GRM5GRM1ARG1ARG2
SCHEMBL2906017 0.81 ARG1 (0.57) GRM2GRM5GRM1ARG1ARG2
SCHEMBL27198574 0.81 ARG1 (0.57) GRM2GRM5GRM1ARG1ARG2
SCHEMBL31440740 0.81 ARG1 (0.57) GRM2GRM5GRM1ARG1ARG2
SCHEMBL27198621 0.81 ARG1 (0.57) GRM2GRM5GRM1ARG1ARG2
Hydrochloric Acid SCHEMBL1806885 0.79 ARG1 (0.55) GRM2GRM5GRM1ARG1ARG2
Bromide SCHEMBL27198559 0.79 ARG1 (0.55) GRM2GRM5GRM1ARG1ARG2
Bromide SCHEMBL27198716 0.79 ARG1 (0.55) GRM2GRM5GRM1ARG1ARG2
Bromide SCHEMBL27198603 0.79 ARG1 (0.55) GRM2GRM5GRM1ARG1ARG2

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
EP-1581233-A2 COMPOSITIONS AND METHODS FOR PAIN REDUCTION RHODE ISLAND HOSPITAL (US) 2005-10-05 EP disclosed
WO-2004039247-A2 COMPOSITIONS AND METHODS FOR PAIN REDUCTION RHODE ISLAND HOSPITAL (US) 2004-05-13 WO disclosed