SCHEMBL11600438

SCHEMBL11600438

CC(Br)(Br)COC(=O)C1CCCCC1(N)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 3/20 0.34
ARG2 P78540 2/20 0.34
GRM8 O00222 1/20 0.30
GRM6 O15303 1/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL2524446 0.79 ARG1 (0.34) ARG1ARG2GRM8GRM6GRM2
SCHEMBL9729224 0.78 ARG1 (0.33) ARG1ARG2GRM8GRM6GRM2
SCHEMBL9537184 0.75 MEN1 (0.40) ARG1ARG2
SCHEMBL30746735 0.74 ARG1 (0.38) ARG1ARG2GRM8GRM6GRM2
SCHEMBL76967 0.74 ARG1 (0.38) ARG1ARG2GRM8GRM6GRM2
SCHEMBL11602811 0.74 ARG1 (0.35) ARG1ARG2GRM8GRM6GRM2
SCHEMBL6380145 0.73 FKBP1A (0.47)
SCHEMBL18828224 0.73 ALDH1A1 (0.38)
SCHEMBL3704762 0.71 ARG1 (0.39) ARG1ARG2GRM8GRM6GRM2
SCHEMBL4835740 0.70 SLC6A4 (0.47) ARG1ARG2GRM8GRM6GRM2

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
US-4111933-A PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed