SCHEMBL28555833

SCHEMBL28555833

[CH2]c1cc(Oc2ccc(N3CCNCC3)nc2)nc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 9/20 0.46
▸ HTR3A P46098 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ NTRK1 P04629 1/20 0.37
▸ HTR2A P28223 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ HTR2B P41595 3/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ FPR3 P25089 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR1E P28566 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
SCHEMBL28551299 0.86 FURIN (0.59) FURINCHRM4ADRB1CHRM1CHRM3
SCHEMBL30931807 0.85 FURIN (0.54) FURINHTR3ANTRK1HTR2AHTR2C
SCHEMBL21551781 0.85 FURIN (0.54) FURINHTR3ANTRK1HTR2AHTR2C
SCHEMBL23375911 0.82 FURIN (0.59) FURIN
SCHEMBL27032669 0.81 FURIN (0.63) FURIN
SCHEMBL21553723 0.79 FURIN (0.54) FURIN
SCHEMBL21553726 0.78 FURIN (0.53) FURIN
SCHEMBL21564421 0.77 FURIN (0.61) FURIN
SCHEMBL21550606 0.76 FURIN (0.81) FURIN
SCHEMBL29928651 0.76 FURIN (0.81) FURIN

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-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
CN-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
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