SCHEMBL6654491

SCHEMBL6654491

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.53
P2RX7 Q99572 2/20 0.52
ALDH1A1 P00352 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ATM Q13315 1/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
HPN P05981 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL6652121 0.98 P2RX7 (0.54) OPRD1P2RX7ALDH1A1NPSR1ATM
SCHEMBL6655511 0.91 P2RX7 (0.57) OPRD1P2RX7ALDH1A1NPSR1ATM
SCHEMBL6655500 0.91 P2RX7 (0.57) OPRD1P2RX7ALDH1A1NPSR1ATM
SCHEMBL6655504 0.91 P2RX7 (0.57) OPRD1P2RX7ALDH1A1NPSR1ATM
SCHEMBL6660138 0.88 P2RX7 (0.58) OPRD1P2RX7ALDH1A1NPSR1ATM
SCHEMBL6660134 0.88 P2RX7 (0.58) OPRD1P2RX7ALDH1A1NPSR1ATM
SCHEMBL6660142 0.88 P2RX7 (0.58) OPRD1P2RX7ALDH1A1NPSR1ATM
SCHEMBL6652116 0.87 OPRD1 (0.56) OPRD1P2RX7ALDH1A1NPSR1ATM
SCHEMBL6652127 0.87 OPRD1 (0.56) OPRD1P2RX7ALDH1A1NPSR1ATM
SCHEMBL6654486 0.85 OPRD1 (0.55) OPRD1P2RX7ALDH1A1NPSR1ATM

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