SCHEMBL8028515

SCHEMBL8028515

O=C(O)CCCC1(c2ccc([C@H](c3cccc(O)c3)N3CCN(Cc4ccccc4)CC3)cc2)N=NN=N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.57
ATM Q13315 2/20 0.51
HDAC1 Q13547 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.44
KCNH2 Q12809 2/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HPN P05981 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD2 P14416 1/20 0.44
ADRA2C P18825 1/20 0.44
CNR1 P21554 1/20 0.44
DRD1 P21728 1/20 0.44

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
SCHEMBL6651777 0.77 OPRD1 (0.54) OPRD1ATMHDAC1MEN1KMT2A
SCHEMBL6651784 0.77 OPRD1 (0.54) OPRD1ATMHDAC1MEN1KMT2A
SCHEMBL6651771 0.77 OPRD1 (0.54) OPRD1ATMHDAC1MEN1KMT2A
SCHEMBL6652888 0.76 OPRD1 (0.54) OPRD1ATMHDAC1MEN1KMT2A
SCHEMBL6655500 0.76 P2RX7 (0.57) OPRD1ATMHDAC1MEN1KMT2A
SCHEMBL6655511 0.76 P2RX7 (0.57) OPRD1ATMHDAC1MEN1KMT2A
SCHEMBL6655504 0.76 P2RX7 (0.57) OPRD1ATMHDAC1MEN1KMT2A
SCHEMBL6652878 0.76 OPRD1 (0.54) OPRD1ATMHDAC1MEN1KMT2A
SCHEMBL6652876 0.76 OPRD1 (0.54) OPRD1ATMHDAC1MEN1KMT2A
SCHEMBL2751728 0.76 OPRD1 (0.72) OPRD1ATMHDAC1MEN1KMT2A

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-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF Pfizer Limited (GB) 2000-03-08 EP disclosed
WO-1998052929-A1 ANTI-INFLAMMATORY PIPERAZINYL-BENZYL-TETRAZOLE DERIVATIVES AND INTERMEDIATES THEREOF PFIZER LIMITED (GB) 1998-11-26 WO disclosed