SCHEMBL3376520

SCHEMBL3376520

CCCCC1CC(c2nc(/C=C\c3cccc4ccccc34)cs2)CCN1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHAT P28329 1/20 0.34
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FNTA P49354 5/20 0.34
FNTB P49356 5/20 0.34
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RAB9A P51151 1/20 0.32
DPP4 P27487 1/20 0.31
SMPD2 O60906 1/20 0.31
DRD2 P14416 1/20 0.31
SLC6A4 P31645 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
SCHEMBL3431702 0.83 MTNR1A (0.34) CHATNPC1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL1966094 0.83 MTNR1A (0.34) CHATNPC1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL1966097 0.83 MTNR1A (0.34) CHATNPC1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL1773239 0.79 FAAH (0.41) NPC1SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL1775045 0.79 FAAH (0.41) NPC1SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL1773241 0.79 FAAH (0.41) NPC1SMN1; SMN2MTNR1AMTNR1BKDM4E
SCHEMBL3376521 0.78 FAAH (0.38) NPC1SMN1; SMN2KDM4E
SCHEMBL27847534 0.73 GAA (0.31)
SCHEMBL27847340 0.73 GAA (0.31)
SCHEMBL27828628 0.73 MTNR1A (0.36) CHATNPC1SMN1; SMN2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010037479-A1 HETEROCYCLYL-SUBSTITUTED THIAZOLES AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2010-04-08 WO disclosed