SCHEMBL17277367

SCHEMBL17277367

Cc1cccc(OCC[C@@H](C)N)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
DRD3 P35462 1/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
F2 P00734 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL17277514 1.00 SMN1; SMN2 (0.51) SMN1; SMN2DRD2DRD4TDP1L3MBTL1
SCHEMBL29690388 0.86 SMN1; SMN2 (0.54) SMN1; SMN2DRD2DRD4TDP1L3MBTL1
SCHEMBL7144506 0.86 SMN1; SMN2 (0.54) SMN1; SMN2DRD2DRD4TDP1L3MBTL1
SCHEMBL18295355 0.82 ADRB2 (0.56) SMN1; SMN2L3MBTL1ADRB2ADRB1KMT2A
SCHEMBL9124730 0.82 ADRB2 (0.56) SMN1; SMN2L3MBTL1ADRB2ADRB1KMT2A
SCHEMBL18295358 0.82 ADRB2 (0.56) SMN1; SMN2L3MBTL1ADRB2ADRB1KMT2A
SCHEMBL27465 0.81 DRD2 (0.62) SMN1; SMN2DRD2DRD4TDP1L3MBTL1
SCHEMBL29381067 0.81 DRD2 (0.62) SMN1; SMN2DRD2DRD4TDP1L3MBTL1
SCHEMBL17286558 0.81 SMN1; SMN2 (0.56) SMN1; SMN2DRD2DRD4TDP1L3MBTL1
SCHEMBL29083526 0.80 DRD2 (0.61) SMN1; SMN2DRD2DRD4TDP1L3MBTL1

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-2488525-B1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MELINTA THERAPEUTICS INC (US) 2018-04-25 EP disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed