SCHEMBL1966097

SCHEMBL1966097

CC(C)(C)C1CC(c2nc(C=Cc3cccc4ccccc34)cs2)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
SMPD2 O60906 2/20 0.32
CHAT P28329 1/20 0.31
FAAH O00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
NPY1R P25929 1/20 0.31
MAPK1 P28482 1/20 0.31
NPY2R P49146 1/20 0.31
CYP1B1 Q16678 1/20 0.31
HTR6 P50406 1/20 0.31

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
SCHEMBL1966094 1.00 MTNR1A (0.34) MTNR1AMTNR1BNPC1SMN1; SMN2KDM4E
SCHEMBL3431702 1.00 MTNR1A (0.34) MTNR1AMTNR1BNPC1SMN1; SMN2KDM4E
SCHEMBL1773239 0.84 FAAH (0.41) MTNR1AMTNR1BNPC1SMN1; SMN2KDM4E
SCHEMBL1773241 0.84 FAAH (0.41) MTNR1AMTNR1BNPC1SMN1; SMN2KDM4E
SCHEMBL1775045 0.84 FAAH (0.41) MTNR1AMTNR1BNPC1SMN1; SMN2KDM4E
SCHEMBL3376520 0.83 CHAT (0.34) MTNR1AMTNR1BNPC1SMN1; SMN2KDM4E
SCHEMBL1996942 0.83 SMYD3 (0.31)
SCHEMBL20718927 0.80 SMYD3 (0.30)
SCHEMBL18192786 0.80 TDP1 (0.33)
SCHEMBL1963637 0.79 SLC6A3 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334669-B1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER IP GMBH (DE) 2015-12-23 EP disclosed
EP-2334669-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS Bayer CropScience AG (DE) 2011-06-22 EP disclosed
WO-2010037479-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2010-04-08 WO disclosed