SCHEMBL7527330

SCHEMBL7527330

CC(C)(C)OC(=O)C1CC(c2ccc([N+](=O)[O-])cc2)=CCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
SLC6A3 Q01959 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 2/20 0.38
BCL2 P10415 2/20 0.35
BECN1 Q14457 2/20 0.35
PNMT P11086 3/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
DYRK1A Q13627 1/20 0.34
POLB P06746 1/20 0.34
PDE5A O76074 1/20 0.34
AR P10275 1/20 0.33

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
SCHEMBL7528145 0.81 MAPT (0.41) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7261773 0.81 CYP11B1 (0.38) MAPTALDH1A1HTTGAAPOLB
SCHEMBL6824480 0.80 KDM4E (0.38) ALDH1A1HTTMEN1GAAKMT2A
SCHEMBL6647089 0.77 MIF (0.34)
SCHEMBL4789681 0.76 PNMT (0.49) ALDH1A1LMNASLC6A3SMN1; SMN2PNMT
SCHEMBL6829492 0.74 F2 (0.35) SMN1; SMN2
SCHEMBL3657554 0.74 F2 (0.33)
SCHEMBL6648198 0.70 NQO2 (0.43) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7510927 0.69 MIF (0.43) SMN1; SMN2
SCHEMBL1546479 0.69 LMNA (0.43) MAPTALDH1A1LMNAHTTSMN1; SMN2

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-1246847-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF Synaptic Pharmaceutical Corporation (US) 2002-10-09 EP disclosed
WO-2002002744-A2 DNA ENCODING A HUMAN MELANIN CONCENTRATING HORMONE RECEPTOR (MCH1) AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2002-01-10 WO disclosed