SCHEMBL5954569

SCHEMBL5954569

COc1ccc(CCCCNO)cc1.COc1cccc(CC(C)NO)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
SLC2A1 P11166 1/20 0.52
KMT2A Q03164 1/20 0.48
TAAR1 Q96RJ0 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CHRM2 P08172 1/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
ADRB2 P07550 2/20 0.46
BCHE P06276 1/20 0.45
SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL2948774 0.84 TAAR1 (0.65) SLC2A1TAAR1HDAC1HDAC6CHRM2
SCHEMBL2951800 0.80 CALM1 (0.59) CHRM2
SCHEMBL4304462 0.77 MTNR1A (0.70) SIGMAR1TAAR1HDAC1HDAC6CHRM2
SCHEMBL2958349 0.76 SLC6A4 (0.58) SIGMAR1KMT2AADRB2
Hydrochloric Acid SCHEMBL10582570 0.74 SLC6A4 (0.56) SIGMAR1KMT2AADRB2
SCHEMBL5954572 0.72 TAAR1 (0.43) SLC2A1KMT2ATAAR1HDAC1HDAC6
SCHEMBL14655805 0.72 TAAR1 (0.67) SIGMAR1SLC2A1TAAR1CHRM2ADRB2
SCHEMBL4949653 0.71 TAAR1 (0.67) SIGMAR1TAAR1CHRM2
SCHEMBL8783348 0.71 FFAR1 (0.54)
SCHEMBL4031646 0.71 ADRB2 (0.62) SIGMAR1SLC2A1TAAR1CHRM2ADRB2

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