SCHEMBL6651771

SCHEMBL6651771

O=C(O)CCCn1nnc(-c2ccc(C(c3cccc(O)c3)N3CCN(Cc4ccccc4)CC3)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.54
ATM Q13315 2/20 0.48
HDAC1 Q13547 2/20 0.46
LTA4H P09960 1/20 0.44
KCNH2 Q12809 2/20 0.43
HDAC4 P56524 1/20 0.43
USP2 O75604 2/20 0.43
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 2/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 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
SCHEMBL6651777 1.00 OPRD1 (0.54) OPRD1ATMHDAC1LTA4HKCNH2
SCHEMBL6651784 1.00 OPRD1 (0.54) OPRD1ATMHDAC1LTA4HKCNH2
SCHEMBL6652876 0.97 OPRD1 (0.54) OPRD1ATMHDAC1LTA4HKCNH2
SCHEMBL6652878 0.97 OPRD1 (0.54) OPRD1ATMHDAC1LTA4HKCNH2
SCHEMBL6652888 0.97 OPRD1 (0.54) OPRD1ATMHDAC1LTA4HKCNH2
SCHEMBL6651012 0.90 OPRD1 (0.58) OPRD1ATMHDAC1KCNH2HDAC4
SCHEMBL6651018 0.90 OPRD1 (0.58) OPRD1ATMHDAC1KCNH2HDAC4
SCHEMBL6651010 0.90 OPRD1 (0.58) OPRD1ATMHDAC1KCNH2HDAC4
SCHEMBL6658977 0.88 HRH1 (0.52) OPRD1ATMHDAC1KCNH2HDAC4
SCHEMBL6658996 0.88 HRH1 (0.52) OPRD1ATMHDAC1KCNH2HDAC4

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