SCHEMBL28987136

SCHEMBL28987136

CN(CC(c1ccccn1)N(c1ccccn1)c1ccccn1)c1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
SLC6A2 P23975 8/20 0.44
SLC6A4 P31645 8/20 0.44
CHRM2 P08172 7/20 0.44
SCN1A P35498 3/20 0.44
SCN2A Q99250 3/20 0.44
SCN3A Q9NY46 3/20 0.44
CYP2D6 P10635 5/20 0.42
CYP2C19 P33261 4/20 0.42
KCNH2 Q12809 7/20 0.41
KCNA5 P22460 2/20 0.41
SLC6A3 Q01959 7/20 0.40
HRH1 P35367 6/20 0.40
HRH3 Q9Y5N1 5/20 0.40
ADRA2B P18089 5/20 0.40
CHRM1 P11229 4/20 0.40
HTR2A P28223 4/20 0.40
DRD1 P21728 3/20 0.40
LMNA P02545 3/20 0.40
NFKB1 P19838 2/20 0.40

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
SCHEMBL5779464 0.76 CYP2D6 (0.50) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL4339397 0.73 AOC3 (0.53) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL2681260 0.73 TSHR (0.55) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL812968 0.71 TSHR (0.68) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL29683764 0.70 TSHR (0.66) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL21742145 0.70 TSHR (0.51) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL15618256 0.70 TSHR (0.51) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL2760196 0.70 CYP2D6 (0.55) TSHRSLC6A2SLC6A4CHRM2CYP2D6
SCHEMBL21742125 0.69 KCNA5 (0.51) TSHRSLC6A2SLC6A4CHRM2SCN1A
SCHEMBL19468562 0.69 FDPS (0.51) TSHRSLC6A2SLC6A4CHRM2CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116606899-B Zinc enzyme steady state-based anti-dandruff efficacy evaluation method 广州市华代生物科技有限公司 2025-02-28 CN disclosed
CN-116606899-A Zinc enzyme steady state-based anti-dandruff efficacy evaluation method 广州市华代生物科技有限公司 2023-08-18 CN disclosed
CN-115838352-A Synthesis method of N, N, N ', N' -tetra (2-picolyl) ethylenediamine compound 上海泰坦科技股份有限公司 2023-03-24 CN disclosed