SCHEMBL9215928

SCHEMBL9215928

NCC(=O)NCCc1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.67
DRD2 P14416 1/20 0.56
DRD1 P21728 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA14 Q9ULX7 1/20 0.56
ENPP2 Q13822 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
HPGD P15428 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48

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
SCHEMBL19002540 0.84 SPR (0.71) SPRCA1CA2CA7CA9
SCHEMBL15051627 0.83 SPR (0.61) SPRDRD2DRD1TAAR1CA1
SCHEMBL2749289 0.81 SPR (0.63) SPRDRD2DRD1TAAR1CA1
SCHEMBL4668612 0.81 CA2 (0.63) TAAR1CA1CA2CA7CA9
SCHEMBL12720969 0.80 SPR (1.00) SPRCA1CA2CA7CA9
SCHEMBL21776338 0.80 SPR (0.66) SPRTAAR1CA1CA2CA7
SCHEMBL19002545 0.80 SPR (0.66) SPRCA1CA2CA7CA9
SCHEMBL5632567 0.80 SPR (0.66) SPRDRD2DRD1TAAR1CA1
SCHEMBL17307601 0.80 SPR (0.61) SPRDRD2DRD1TAAR1CA1
SCHEMBL6976868 0.80 CA1 (0.66) TAAR1CA1CA2ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517345-B1 Intermediates of the mureidomycin group, their preparation, and their use SANKYO CO (JP) 1995-07-19 EP claimed
EP-0517345-A1 Intermediates of the mureidomycin group, their preparation, and their use SANKYO COMPANY LIMITED (JP) 1992-12-09 EP claimed
JP-1230568-A None JP disclosed
EP-0517345-B1 Intermediates of the mureidomycin group, their preparation, and their use SANKYO CO (JP) 1995-07-19 EP disclosed
EP-0317292-B1 NEW ANTIBIOTICS OF THE MUREIDOMYCIN GROUP, THEIR PREPARATION, AND THEIR THERAPEUTIC USE Sankyo Company Limited (JP) 1993-04-07 EP disclosed
EP-0517345-A1 Intermediates of the mureidomycin group, their preparation, and their use SANKYO COMPANY LIMITED (JP) 1992-12-09 EP disclosed
US-5041423-A Antibiotics of the mureidomycin group, their preparation, and their therapeutic use SANKYO COMPANY, LIMITED (JP) 1991-08-20 US disclosed
JP-H01230568-A MUREIDOMYCIN DERIVATIVE SANKYO CO LTD 1989-09-14 JP disclosed
EP-0317292-A2 New antibiotics of the mureidomycin group, their preparation, and their therapeutic use Sankyo Company Limited (JP) 1989-05-24 EP disclosed