SCHEMBL9977945

SCHEMBL9977945

CCOC(CCCNC(=O)c1ccccc1C=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 2/20 0.48
▸ HTT P42858 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ EPHX1 P07099 1/20 0.46
▸ HPGD P15428 5/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ ATM Q13315 1/20 0.42
▸ NAAA Q02083 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HIF1A Q16665 1/20 0.39

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
SCHEMBL560070 0.83 HTT (0.55) HCRTR1HTTTSHREPHX1HPGD
SCHEMBL2665746 0.81 TSHR (0.73) HCRTR1HTTTSHRHPGDNAAA
SCHEMBL8174236 0.79 NAAA (0.67) HCRTR1HTTTSHRHPGDNAAA
SCHEMBL18381506 0.78 HTT (0.44) HCRTR1HTTTSHRHPGDNAAA
SCHEMBL24696326 0.78 TSHR (0.57) HCRTR1HTTTSHRHPGDNAAA
SCHEMBL18074482 0.78 HTT (0.53) HCRTR1HTTTSHRHPGDNAAA
SCHEMBL12337626 0.78 HPGD (0.56) HCRTR1HTTTSHRHPGDKMT2A
SCHEMBL10063838 0.78 HCRTR1 (0.48) HCRTR1HTTTSHRHPGDKMT2A
SCHEMBL18381505 0.77 OTC (0.45) HTTTSHRHPGDKMT2AHSD17B10
SCHEMBL29798859 0.77 NPC1 (0.58) HTTTSHREPHX1HPGDKMT2A

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
US-8927720-B2 Azabenzimidazoles as respiratory syncytial virus antiviral agents JANSSEN R&D IRELAND (IE) 2015-01-06 — — US disclosed
WO-2012080449-A1 AZABENZIMIDAZOLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (IE) 2012-06-21 — — WO disclosed
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