SCHEMBL7528145

SCHEMBL7528145

CCCCOC(=O)C1CC(c2ccc([N+](=O)[O-])cc2)=CCN1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 2/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX12 P18054 1/20 0.40
MGLL Q99685 2/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7527330 0.81 MAPT (0.41) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL4789681 0.72 PNMT (0.49) ALDH1A1LMNASMN1; SMN2HRH2HSD17B10
SCHEMBL6270712 0.69 L3MBTL1 (0.34) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL3391559 0.67 PKM (0.66) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL25845895 0.67 MAPT (0.78) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8304121 0.67 ALDH1A1 (0.41) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL1144551 0.66 MGLL (0.62) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL27818621 0.65 MGLL (0.52) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL27882785 0.65 MGLL (0.60) MAPTALDH1A1LMNASMN1; SMN2PKM
SCHEMBL11037027 0.65 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TDP1NPC1

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