SCHEMBL7690294

SCHEMBL7690294

C[C@@H](NCC(O)COc1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
KMT2A Q03164 5/20 0.55
RAB9A P51151 3/20 0.55
MEN1 O00255 3/20 0.55
NPC1 O15118 2/20 0.55
ALDH1A1 P00352 1/20 0.49
NPSR1 Q6W5P4 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 1/20 0.48
MAPT P10636 1/20 0.48
NPY1R P25929 1/20 0.48
HTT P42858 1/20 0.48
NPY2R P49146 1/20 0.48
RECQL P46063 1/20 0.47

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
SCHEMBL11719183 0.88 ADRB2 (0.63) L3MBTL1ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4209781 0.86 L3MBTL1 (0.51) L3MBTL1KMT2ARAB9AMEN1NPC1
Bromide SCHEMBL7678900 0.84 KMT2A (0.57) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL9655113 0.81 KMT2A (0.68) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL27520599 0.78 L3MBTL1 (0.64) L3MBTL1KMT2ARAB9AMEN1NPC1
Bromide SCHEMBL7679342 0.78 ALDH1A1 (0.53) L3MBTL1KMT2ARAB9AMEN1NPC1
SCHEMBL10453566 0.78 L3MBTL1 (0.62) L3MBTL1KMT2ARAB9AMEN1NPC1
SCHEMBL30196559 0.78 L3MBTL1 (0.62) L3MBTL1KMT2ARAB9AMEN1NPC1
SCHEMBL20553006 0.77 ADRB2 (0.59) ALDH1A1ADRB2ADRB1ADRB3
SCHEMBL6859005 0.76 L3MBTL1 (0.68) L3MBTL1KMT2ARAB9AMEN1NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376488-B1 SPECIFIC ADRENORECEPTOR ANTAGONISTS FOR TREATING BENIGN PROSTATIC HYPERPLASIA, BLADDER OUTLET OBSTRUCTION, NEUROGENIC BLADDER, AND GYNECOLOGICAL SYNDROMES ABBOTT LABORATORIES 2002-04-23 US disclosed