SCHEMBL6654705

SCHEMBL6654705

C=CCN1CCN([C@H](c2ccc(-c3nnn(CCOCC(=O)O)n3)cc2)c2cccc(O)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 12/20 0.48
HRH1 P35367 3/20 0.47
SLC6A2 P23975 1/20 0.47
HRH2 P25021 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TEK Q02763 1/20 0.47
KCNH2 Q12809 1/20 0.47
USP2 O75604 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL6654701 1.00 OPRD1 (0.48) OPRD1HRH1SLC6A2HRH2HTR2A
SCHEMBL6654713 1.00 OPRD1 (0.48) OPRD1HRH1SLC6A2HRH2HTR2A
SCHEMBL6658983 0.88 HRH1 (0.52) OPRD1HRH1SLC6A2HRH2HTR2A
SCHEMBL6658977 0.88 HRH1 (0.52) OPRD1HRH1SLC6A2HRH2HTR2A
SCHEMBL6658996 0.88 HRH1 (0.52) OPRD1HRH1SLC6A2HRH2HTR2A
SCHEMBL6652027 0.88 OPRD1 (0.50) OPRD1USP2OPRM1OPRK1
SCHEMBL6652014 0.88 OPRD1 (0.50) OPRD1USP2OPRM1OPRK1
SCHEMBL6652019 0.88 OPRD1 (0.50) OPRD1USP2OPRM1OPRK1
SCHEMBL6656936 0.88 OPRD1 (0.44) OPRD1OPRM1OPRK1
SCHEMBL6656946 0.88 OPRD1 (0.44) OPRD1OPRM1OPRK1

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-0983251-B1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LTD (GB) 2004-06-23 EP disclosed
US-6514975-B1 Tetrazoles as selective agonists for the delta opioid receptor PFIZER INC 2003-02-04 US disclosed