SCHEMBL7546763

SCHEMBL7546763

COc1cc(Br)c(OC)c2c1CCC([N+](=O)[O-])=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
HTR2A P28223 4/20 0.36
MAPT P10636 5/20 0.35
GPR35 Q9HC97 1/20 0.34
PKM P14618 1/20 0.33
PTGS2 P35354 1/20 0.33
TSHR P16473 1/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7547973 0.90 HTR2A (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Nitrous Acid SCHEMBL7549271 0.85 HTR2A (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7540187 0.78 KDM4E (0.47) MAPTPTGS2HTTKDM4EMEN1
SCHEMBL7551757 0.68 HTR2A (0.43) HTR2AMAPTTSHRAPOBEC3AHTT
SCHEMBL17132381 0.65 HTT (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20191026 0.65 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7007492 0.65 ALDH1A1 (0.41) MAPTHTTKDM4EMEN1KMT2A
SCHEMBL11188883 0.65 HTR2A (0.43) HTR2ATSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL17239822 0.64 PKM (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5565950 0.64 ALDH1A1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-0883599-B1 AMINOTETRALIN DERIVATIVES AND COMPOSITIONS AND METHOD OF USE THEREOF ASTRAZENECA AB (SE) 2002-06-05 EP disclosed
US-5807897-A MUSCULAR DISORDERS ZENECA LIMITED (GB) 1998-09-15 US disclosed