SCHEMBL20650459

SCHEMBL20650459

CC(C)(C)c1cccc2c1oc1c(N(I)c3ccccc3C3CCCCC3)cccc12

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.32
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL20650332 0.92 CEL (0.32) CELHTR1AHTR7
SCHEMBL20172832 0.88 CEL (0.32) CELHTR1AHTR7LMNA
SCHEMBL20650227 0.86 CEL (0.37) CELHTR1AHTR7
SCHEMBL20650471 0.83 HTR2C (0.36) CELHTR1AHTR7
SCHEMBL20650482 0.82 KIF11 (0.34)
SCHEMBL20650724 0.82 CEL (0.34) CELHTR1AHTR7
SCHEMBL20650380 0.82 CEL (0.35) CELHTR1AHTR7LMNA
SCHEMBL20172849 0.81 CEL (0.32) CELHTR1AHTR7LMNA
SCHEMBL20650327 0.81 LMNA (0.34) CELHTR1AHTR7LMNA
SCHEMBL20650479 0.79 SLC6A2 (0.34) CELHTR1AHTR7

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-3428152-B1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2021-11-03 EP disclosed
EP-3428152-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG Chem, Ltd. (KR) 2019-01-16 EP disclosed