SCHEMBL28565111

SCHEMBL28565111

c1ccc(C(c2ccccn2)N(C(c2ccccn2)c2ccccn2)C(c2ccccn2)c2ccccn2)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 1/20 0.52
TSHR P16473 1/20 0.50
KCNA5 P22460 5/20 0.47
KCNH2 Q12809 1/20 0.47
KCNE1 P15382 2/20 0.45
CYP2D6 P10635 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CHRM2 P08172 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42

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
SCHEMBL7515116 0.81 TSHR (0.57) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL30679621 0.81 TSHR (0.57) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL18988389 0.81 TSHR (0.57) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL347926 0.76 TSHR (0.52) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL2457219 0.76 SLC6A3 (0.73) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL3827027 0.76 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL28420515 0.74 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL9185638 0.74 SLC6A3 (0.56) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL3096488 0.74 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3TSHRKCNA5
SCHEMBL7519727 0.73 KCNA5 (0.50) SLC6A2SLC6A4SLC6A3TSHRKCNA5

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-108899547-B Binder and preparation method thereof, silicon negative electrode material and secondary battery 桑顿新能源科技有限公司 2020-12-04 CN disclosed
CN-107115846-B Crown ether immobilized glass fiber material and preparation method thereof 清华大学 2020-03-27 CN disclosed