SCHEMBL28202178

SCHEMBL28202178

IC1=Nc2ncccc2CC1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
TSHR P16473 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL28857380 0.78 HRH1 (0.34) HTR2AHTR2CHTR2BCHRM2HTR1A
SCHEMBL4340785 0.78 TSHR (0.32) HTR2AHTR2CHTR2BCHRM2HTR1A
SCHEMBL28195678 0.76 HDAC1 (0.32) HTR2AHTR2CHTR2BCHRM2HTR1A
SCHEMBL28276888 0.76 CYP11B2 (0.33) HTR2AHTR2CHTR2BCHRM2HTR1A
SCHEMBL19142282 0.76 CYP11B1 (0.36) HTR2AHTR2CHTR2BCHRM2HTR1A
SCHEMBL28201589 0.72 CHRM2 (0.30) HTR2AHTR2CHTR2BCHRM2HTR1A
SCHEMBL28202171 0.72 EP300 (0.31)
SCHEMBL28201612 0.72 NPC1 (0.33) HTR2AHTR2CHTR2BCHRM2HTR1A
SCHEMBL28201595 0.72 L3MBTL1 (0.36)
SCHEMBL29077469 0.69 NOS3 (0.37) NOS3NOS1NOS2

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
CN-105683188-B The ring pyridinyl derivatives of condensed ring two as FGFR4 inhibitor 诺华股份有限公司 2018-02-09 CN disclosed