SCHEMBL5034406

SCHEMBL5034406

O=C(O)NCC(=O)C1CCc2ccccc2N1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.51
MTNR1A P48039 5/20 0.49
HTR1A P08908 4/20 0.48
HTR2A P28223 4/20 0.48
DRD3 P35462 4/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48
HTR2C P28335 2/20 0.43
DRD2 P14416 1/20 0.43
F2 P00734 2/20 0.43
MASP2 O00187 1/20 0.43
MTNR1B P49286 2/20 0.36
RIPK1 Q13546 4/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36

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
SCHEMBL18668677 0.82 HTR1A (0.53) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL4732810 0.81 MTNR1A (0.46) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL4730904 0.80 SMYD3 (0.52) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL4734530 0.80 SMYD3 (0.56) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL1545216 0.80 SMYD3 (0.52) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL1150614 0.79 GAA (0.69) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL29831598 0.79 GAA (0.69) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL1531662 0.79 GAA (0.69) SMYD3MTNR1AHTR1AHTR2ADRD3
SCHEMBL444953 0.79 GAA (0.69) SMYD3MTNR1AHTR1AHTR2ADRD3
Hydrochloric Acid SCHEMBL11050093 0.77 GAA (0.67) 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
EP-1888575-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION Hydra Biosciences, Inc. (US) 2008-02-20 EP disclosed
WO-2006122156-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2006-11-16 WO disclosed