SCHEMBL4625997

SCHEMBL4625997

CC1CN(Cc2ccc(CC(=O)O)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 12/20 0.52
▸ CCR1 P32246 1/20 0.45
▸ GPR119 Q8TDV5 2/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ SETD7 Q8WTS6 1/20 0.41
▸ MAP4K4 O95819 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL1704091 1.00 PTGDR2 (0.52) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL3664002 0.89 MGLL (0.49) PTGDR2CCR1GPR119MGLL
SCHEMBL7968974 0.89 MGLL (0.49) PTGDR2CCR1GPR119MGLL
SCHEMBL3664004 0.89 MGLL (0.49) PTGDR2CCR1GPR119MGLL
SCHEMBL1704761 0.89 CCR1 (0.44) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL29269207 0.88 CCR1 (0.47) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL29269210 0.88 CCR1 (0.47) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL29269208 0.88 CCR1 (0.47) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL1704225 0.88 PTGDR2 (0.55) PTGDR2CCR1GPR119OPRK1
SCHEMBL13954897 0.87 CCR1 (0.59) PTGDR2CCR1

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-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 — — EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 — — WO disclosed
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