SCHEMBL5954572

SCHEMBL5954572

COc1ccc(C(CCCNO)CC(Cc2cccc(OC)c2)NO)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
CHRM2 P08172 2/20 0.42
ALDH1A1 P00352 3/20 0.41
SLC2A1 P11166 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
ADRB2 P07550 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CASR P41180 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
SCHEMBL5954569 0.72 SIGMAR1 (0.54) TAAR1CHRM2SLC2A1MTNR1AMTNR1B
SCHEMBL4304462 0.70 MTNR1A (0.70) TAAR1CHRM2MTNR1AMTNR1BCHRM1
SCHEMBL2948774 0.69 TAAR1 (0.65) TAAR1CHRM2ALDH1A1SLC2A1ADRB2
SCHEMBL17788984 0.69 TAAR1 (0.65) TAAR1CHRM2ADRB2CHRM1CHRM3
SCHEMBL9856490 0.67 CHRM2 (0.56) TAAR1CHRM2ALDH1A1MTNR1AMTNR1B
SCHEMBL7450409 0.66 TAAR1 (0.70) TAAR1CHRM2CHRM1CHRM3
SCHEMBL27499005 0.66 TAAR1 (0.56) TAAR1ALDH1A1MTNR1AMTNR1BHTT
SCHEMBL10662936 0.66 MTNR1A (0.53) TAAR1ALDH1A1MTNR1AMTNR1BADRB2
SCHEMBL6224557 0.65 TAAR1 (0.73) TAAR1CHRM2ADRB2CHRM1CHRM3
SCHEMBL4734640 0.65 TAAR1 (0.54) TAAR1CHRM2ALDH1A1SCN8AADRB2

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-1692096-A1 HYDROXYLAMINE DERIVATIVES Newron Pharmaceuticals S.p.A. (IT) 2006-08-23 EP claimed
WO-2005058800-A1 HYDROXYLAMINE DERIVATIVES NEWRON PHARMACEUTICALS S.P.A. (IT) 2005-06-30 WO claimed