SCHEMBL28110106

SCHEMBL28110106

c1ncc2ccc(C3CCNCC3)cc2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.46
▸ QDPR P09417 1/20 0.45
▸ HTR2C P28335 6/20 0.41
▸ SLC18A3 Q16572 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ TLR9 Q9NR96 2/20 0.39
▸ TLR8 Q9NR97 2/20 0.39
▸ TLR7 Q9NYK1 2/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ TDO2 P48775 1/20 0.37

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
SCHEMBL30241134 0.86 EGFR (0.50) EGFRKCNH2HRH4HRH3TDO2
SCHEMBL27558297 0.86 EGFR (0.50) EGFRHRH3TDO2
SCHEMBL15534906 0.77 QDPR (0.46) QDPRHTR2CSLC18A3SIGMAR1DDB1
SCHEMBL23443503 0.75 IKBKB (0.58) QDPRHTR2CSLC18A3SIGMAR1TLR9
SCHEMBL5584371 0.75 IKBKB (0.55) QDPRHTR2CSLC18A3SIGMAR1TLR9
SCHEMBL28301052 0.74 GSK3B (0.37) EGFRTDO2
SCHEMBL2803334 0.72 SLC18A3 (0.52) QDPRHTR2CSLC18A3SIGMAR1HRH4
Hydrochloric Acid SCHEMBL4463792 0.70 SLC18A3 (0.50) QDPRHTR2CSLC18A3SIGMAR1HRH4
SCHEMBL29776618 0.69 QDPR (0.47) QDPRHTR2CSLC18A3SIGMAR1TLR9
SCHEMBL19003055 0.69 MPO (0.46) QDPRHTR2CSLC18A3SIGMAR1

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-106087103-B A kind of fiber of antibacterial uvioresistant and preparation method thereof 杭州纱农纺织有限公司 2018-06-08 — — CN disclosed
CN-106087103-A A kind of antibacterial uvioresistant fiber and preparation method thereof 杭州纱农纺织有限公司 2016-11-09 — — CN disclosed
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