SCHEMBL30360442

SCHEMBL30360442

CC(C)C(N)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
SLC6A3 Q01959 1/20 0.47
TSHR P16473 1/20 0.46
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 1/20 0.43
KCNA5 P22460 6/20 0.43
KCNH2 Q12809 1/20 0.43
KCNE1 P15382 2/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
CHRM2 P08172 1/20 0.40
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39

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
SCHEMBL16169005 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL31482203 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL12361219 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL25706581 1.00 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL16781686 0.86 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL29337158 0.83 CYP1A2 (0.45) SLC6A2SLC6A4SLC6A3TSHRCYP1A2
SCHEMBL751028 0.82
SCHEMBL164553 0.82
SCHEMBL29467654 0.82
SCHEMBL176779 0.82

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
CN-115894447-B METTL3 inhibitors and uses thereof 成都先导药物开发股份有限公司 2024-10-01 CN disclosed
CN-115894447-A METTL3 inhibitors and uses thereof 成都先导药物开发股份有限公司 2023-04-04 CN disclosed