SCHEMBL6660106

SCHEMBL6660106

O=C(O)COCCn1nnnc1-c1ccc(C(c2cccc(O)c2)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.54
P2RX7 Q99572 2/20 0.52
HRH1 P35367 4/20 0.51
SLC6A2 P23975 2/20 0.51
HRH2 P25021 2/20 0.51
HTR2A P28223 2/20 0.51
SLC6A4 P31645 2/20 0.51
DRD3 P35462 2/20 0.51
HTR2B P41595 2/20 0.51
SLC6A3 Q01959 2/20 0.51
KCNH2 Q12809 2/20 0.51
USP2 O75604 2/20 0.51
TEK Q02763 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL6660121 1.00 OPRD1 (0.54) OPRD1P2RX7HRH1SLC6A2HRH2
SCHEMBL6660112 1.00 OPRD1 (0.54) OPRD1P2RX7HRH1SLC6A2HRH2
SCHEMBL6654609 0.88 OPRD1 (0.53) OPRD1P2RX7HRH1SLC6A2HRH2
SCHEMBL6654611 0.88 OPRD1 (0.53) OPRD1P2RX7HRH1SLC6A2HRH2
SCHEMBL6655500 0.88 P2RX7 (0.57) OPRD1P2RX7HRH1SLC6A2HRH2
SCHEMBL6655504 0.88 P2RX7 (0.57) OPRD1P2RX7HRH1SLC6A2HRH2
SCHEMBL6655511 0.88 P2RX7 (0.57) OPRD1P2RX7HRH1SLC6A2HRH2
SCHEMBL6652601 0.88 OPRD1 (0.57) OPRD1P2RX7HRH1SLC6A2HRH2
SCHEMBL6652614 0.88 OPRD1 (0.57) OPRD1P2RX7HRH1SLC6A2HRH2
SCHEMBL6652596 0.88 OPRD1 (0.57) OPRD1P2RX7HRH1SLC6A2HRH2

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