SCHEMBL7375880

SCHEMBL7375880

CCCC[C@H](N)C(=O)NCC(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
SLC6A9 P48067 10/20 0.47
SLC6A5 Q9Y345 6/20 0.47
TSHR P16473 1/20 0.46
F7 P08709 1/20 0.46
CNR2 P34972 1/20 0.43
NAAA Q02083 1/20 0.42
GPR139 Q6DWJ6 1/20 0.42

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
SCHEMBL7313780 0.86 POLB (0.55) OPRM1OPRD1NPSR1POLBDPP7
SCHEMBL7313784 0.86 POLB (0.55) OPRM1OPRD1NPSR1POLBDPP7
SCHEMBL7374474 0.84 MMP2 (0.47) SLC6A9SLC6A5TSHRF7
SCHEMBL7370114 0.82 SLC6A9 (0.49) OPRD1SLC6A9SLC6A5TSHRF7
SCHEMBL7371275 0.81 SLC6A9 (0.53) SLC6A9SLC6A5TSHRF7GPR139
Hydrochloric Acid SCHEMBL11362510 0.79 OPRD1 (0.63) OPRM1OPRD1CNR2
SCHEMBL7372402 0.79 SLC6A9 (0.51) OPRD1SLC6A9SLC6A5TSHRF7
SCHEMBL13880547 0.77 SLC6A9 (0.47) NPSR1POLBSLC6A9SLC6A5TSHR
SCHEMBL8246910 0.76 ATM (0.42) OPRM1OPRD1NPSR1POLBCNR2
SCHEMBL8249597 0.76 MMP2 (0.50) OPRM1OPRD1NPSR1POLBCNR2

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-1994027958-A1 4-AMIDINOPHENYLSULPHONAMIDES FOR THE TREATMENT OF THROMBO-EMBOLITIC CONDITIONS BOEHRINGER MANNHEIM GMBH (DE) 1994-12-08 WO disclosed