SCHEMBL6652740

SCHEMBL6652740

N#CCOCCn1nnc(-c2ccc([C@H](c3cccc(O)c3)N3CCN(Cc4ccccc4)CC3)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.51
ATM Q13315 1/20 0.41
CYP3A4 P08684 2/20 0.40
USP2 O75604 2/20 0.40
CYP2D6 P10635 2/20 0.40
MAOB P27338 2/20 0.40
CHRM2 P08172 2/20 0.40
ADRA2A P08913 2/20 0.40
DRD2 P14416 2/20 0.40
ADRA2C P18825 2/20 0.40
DRD4 P21917 2/20 0.40
HRH2 P25021 2/20 0.40
HTR2A P28223 2/20 0.40
ADRA1A P35348 2/20 0.40
HRH1 P35367 2/20 0.40
DRD3 P35462 2/20 0.40
OPRK1 P41145 2/20 0.40
HTR2B P41595 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP1A2 P05177 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
SCHEMBL6652737 1.00 OPRD1 (0.51) OPRD1ATMCYP3A4USP2CYP2D6
SCHEMBL6658983 0.88 HRH1 (0.52) OPRD1ATMCYP3A4USP2CYP2D6
SCHEMBL6658977 0.88 HRH1 (0.52) OPRD1ATMCYP3A4USP2CYP2D6
SCHEMBL6658996 0.88 HRH1 (0.52) OPRD1ATMCYP3A4USP2CYP2D6
SCHEMBL6656936 0.88 OPRD1 (0.44) OPRD1OPRK1OPRM1
SCHEMBL6656946 0.88 OPRD1 (0.44) OPRD1OPRK1OPRM1
SCHEMBL6654609 0.85 OPRD1 (0.53) OPRD1ATMCYP3A4USP2CYP2D6
SCHEMBL6654611 0.85 OPRD1 (0.53) OPRD1ATMCYP3A4USP2CYP2D6
SCHEMBL6651771 0.82 OPRD1 (0.54) OPRD1ATMCYP3A4USP2CYP2D6
SCHEMBL6651777 0.82 OPRD1 (0.54) OPRD1ATMCYP3A4USP2CYP2D6

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