SCHEMBL21132105

SCHEMBL21132105

CC(c1ccccn1)C(C)(C)c1ncccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 1/20 0.40
KCNA5 P22460 6/20 0.40
KCNH2 Q12809 1/20 0.40
KCNE1 P15382 2/20 0.38
CYP2C19 P33261 1/20 0.38
CYP2D6 P10635 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CHRM2 P08172 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
IDH1 O75874 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL12725114 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL5960481 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL5960502 0.82 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL21760517 0.78 KCNA5 (0.44) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL22275768 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL9947017 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL12346333 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL24827566 0.76 KCNA5 (0.46) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL28021814 0.73 SMN1; SMN2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL7565343 0.73 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3TSHRCYP1A2

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
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 US disclosed