SCHEMBL9965293

SCHEMBL9965293

CCOC(OCC)c1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.42
GPR119 Q8TDV5 3/20 0.42
MGLL Q99685 1/20 0.39
SETD7 Q8WTS6 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
MAP4K4 O95819 1/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
RET P07949 2/20 0.36
AGTR2 P50052 1/20 0.36
FPR3 P25089 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
GPR35 Q9HC97 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 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
SCHEMBL1704499 0.87 CCR1 (0.41) CCR1GPR119MGLLSETD7MAP4K4
SCHEMBL4185696 0.85 CCR1 (0.43) CCR1GPR119MGLLSETD7MAP4K4
SCHEMBL1704705 0.84 PTGDR2 (0.44) CCR1GPR119MGLLSETD7MAP4K4
SCHEMBL29269210 0.83 CCR1 (0.47) CCR1GPR119MGLLSETD7MAP4K4
SCHEMBL29269208 0.83 CCR1 (0.47) CCR1GPR119MGLLSETD7MAP4K4
SCHEMBL29269207 0.83 CCR1 (0.47) CCR1GPR119MGLLSETD7MAP4K4
SCHEMBL377822 0.82 CCR1 (0.46) CCR1GPR119MGLLSETD7MAP4K4
SCHEMBL13954897 0.82 CCR1 (0.59) CCR1PTGDR2FPR3GPR65GPR35
SCHEMBL377466 0.82 CCR1 (0.46) CCR1GPR119MGLLSETD7MAP4K4
SCHEMBL9942316 0.82 KLK7 (0.37) BCHEAGTR2

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-2012080705-A1 IMAGING AGENTS CHROMA THERAPEUTICS LTD (GB) 2012-06-21 WO disclosed