SCHEMBL21564354

SCHEMBL21564354

CN(Cc1cc(Oc2ccc(Br)nc2)cc(-c2cc(Cl)cc(Cl)c2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.35
▸ SLC6A4 P31645 5/20 0.35
▸ MCHR1 Q99705 1/20 0.33
▸ CETP P11597 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ ABHD6 Q9BV23 1/20 0.32
▸ LIPE Q05469 1/20 0.32
▸ AOC3 Q16853 1/20 0.31
▸ CARM1 Q86X55 1/20 0.31
▸ PRMT6 Q96LA8 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ GLS O94925 1/20 0.31
▸ KAT6A Q92794 1/20 0.31
▸ KAT5 Q92993 1/20 0.31
▸ PDK2 Q15119 1/20 0.31

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
SCHEMBL29892192 1.00 HTR2C (0.35) HTR2CSLC6A4MCHR1CETPHTR2A
SCHEMBL30931855 1.00 HTR2C (0.35) HTR2CSLC6A4MCHR1CETPHTR2A
SCHEMBL21551301 0.87 TACR1 (0.36) ABHD6AOC3CARM1PRMT6TACR1
SCHEMBL21564565 0.81 STK17B (0.40) —
SCHEMBL21564562 0.79 CKS1B (0.44) —
SCHEMBL29890729 0.79 CKS1B (0.44) —
SCHEMBL30931825 0.75 HTR2C (0.38) HTR2CSLC6A4MCHR1HTR2AAOC3
SCHEMBL29890838 0.75 HTR2C (0.38) HTR2CSLC6A4MCHR1HTR2AAOC3
SCHEMBL21551302 0.75 TOP2A (0.37) CARM1PRMT6
SCHEMBL21564351 0.74 CARM1 (0.35) SLC6A4HTR2ACARM1PRMT6

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
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 — — EP disclosed
WO-2019215341-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-11-14 — — WO disclosed
US-9388132-B2 Isobaric tandem mass tags for quantitative proteomics and peptidomics WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-07-12 — — US disclosed
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