SCHEMBL8567346

SCHEMBL8567346

CNC(=O)[C@@H]1CCc2ccccc2N1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.63
MTNR1A P48039 4/20 0.50
HTR1A P08908 4/20 0.49
HTR2A P28223 4/20 0.49
DRD3 P35462 4/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
F2 P00734 2/20 0.48
MASP2 O00187 1/20 0.48
HTR2C P28335 2/20 0.46
DRD2 P14416 1/20 0.46
MTNR1B P49286 1/20 0.39
MMP1 P03956 3/20 0.38
MMP2 P08253 3/20 0.38
MMP3 P08254 3/20 0.38
MMP9 P14780 3/20 0.38
MMP8 P22894 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL8567344 1.00 SMYD3 (0.63) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL8567341 1.00 SMYD3 (0.63) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL25937486 0.91 SMYD3 (0.53) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL13610792 0.84 GAA (0.65) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL30146036 0.84 GAA (0.65) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL30284116 0.84 SMYD3 (0.62) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL5245111 0.82 SMYD3 (0.56) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL30357987 0.82 SMYD3 (0.56) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL4019694 0.82 SMYD3 (0.58) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL926907 0.81 SMYD3 (0.56) SMYD3MTNR1AHTR1AHTR2ADRD3

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed