SCHEMBL20609657

SCHEMBL20609657

CC1CCC(I)c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TAS1R2 Q8TE23 2/20 0.35
HTR2C P28335 3/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
CYP11B2 P19099 1/20 0.33
DRD2 P14416 1/20 0.32
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
IDO1 P14902 2/20 0.31
PDPK1 O15530 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
SCHEMBL4972049 0.85 HTR2C (0.40) TAS1R3TAS1R1TAS1R2HTR2CNOS3
SCHEMBL30130746 0.85 HTR2C (0.40) TAS1R3TAS1R1TAS1R2HTR2CNOS3
SCHEMBL172877 0.74 SLC6A2 (0.38) TAS1R3TAS1R1TAS1R2HTR2CIDO1
SCHEMBL15000999 0.73 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2HTR2CNOS3
SCHEMBL15001000 0.73 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2HTR2CNOS3
SCHEMBL4016333 0.73 SLC6A2 (0.47) TAS1R3TAS1R1TAS1R2NOS3NOS1
SCHEMBL8251125 0.73 SLC6A2 (0.47) TAS1R3TAS1R1TAS1R2NOS3NOS1
SCHEMBL21694957 0.73 SLC6A2 (0.47) TAS1R3TAS1R1TAS1R2NOS3NOS1
SCHEMBL30402212 0.73 SLC6A2 (0.47) TAS1R3TAS1R1TAS1R2NOS3NOS1
SCHEMBL15000998 0.73 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2HTR2CNOS3

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
US-10168617-B2 Composition for forming interlayer insulating film, interlayer insulating film, method for forming interlayer insulating film pattern, and device TOKYO OHKA KOGYO CO., LTD. (JP) 2019-01-01 US disclosed