SCHEMBL6655504

SCHEMBL6655504

O=C(O)CCCn1nnnc1-c1ccc([C@H](c2cccc(O)c2)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.57
OPRD1 P41143 1/20 0.56
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
ATM Q13315 1/20 0.48
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
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

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
SCHEMBL6655500 1.00 P2RX7 (0.57) P2RX7OPRD1ALDH1A1NPSR1ATM
SCHEMBL6655511 1.00 P2RX7 (0.57) P2RX7OPRD1ALDH1A1NPSR1ATM
SCHEMBL6660142 0.98 P2RX7 (0.58) P2RX7OPRD1ALDH1A1NPSR1ATM
SCHEMBL6660138 0.98 P2RX7 (0.58) P2RX7OPRD1ALDH1A1NPSR1ATM
SCHEMBL6660134 0.98 P2RX7 (0.58) P2RX7OPRD1ALDH1A1NPSR1ATM
SCHEMBL6654491 0.91 OPRD1 (0.53) P2RX7OPRD1ALDH1A1NPSR1ATM
SCHEMBL6652601 0.90 OPRD1 (0.57) P2RX7OPRD1ALDH1A1NPSR1ATM
SCHEMBL6652596 0.90 OPRD1 (0.57) P2RX7OPRD1ALDH1A1NPSR1ATM
SCHEMBL6652614 0.90 OPRD1 (0.57) P2RX7OPRD1ALDH1A1NPSR1ATM
SCHEMBL6652121 0.89 P2RX7 (0.54) P2RX7OPRD1ALDH1A1NPSR1ATM

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 4 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
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