SCHEMBL1009380

SCHEMBL1009380

NCCOC1[C]=CCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.38
HRH1 P35367 3/20 0.38
RET P07949 1/20 0.36
HTR2C P28335 1/20 0.36
IDO1 P14902 5/20 0.32
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4310302 0.80 HTR2A (0.33) HTR2AHRH1RETHTR2C
SCHEMBL9198328 0.77 CTSL (0.40) HTR2AIDO1
SCHEMBL9199555 0.76 MAPT (0.32) HTR2AHRH1IDO1
SCHEMBL4310550 0.76 MAPT (0.32) HTR2AHRH1IDO1
SCHEMBL8492145 0.72 PDPK1 (0.32)
SCHEMBL12228575 0.69 IDO1 (0.42) HTR2AHRH1RETHTR2CIDO1
SCHEMBL3389204 0.67 HTR2A (0.35) HTR2AHRH1RETHTR2CIDO1
SCHEMBL8890669 0.67 CHRNB2 (0.33) HTR2A
SCHEMBL7410008 0.67 IDO1 (0.61) HTR2AHRH1RETIDO1
SCHEMBL458123 0.66 HTR2A (0.34) HTR2AHRH1RETHTR2C

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-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP claimed
WO-2009067410-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2009-05-28 WO claimed