SCHEMBL19364630

SCHEMBL19364630

CCCC(C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 16/20 0.50
▸ HRH4 Q9H3N8 6/20 0.47
▸ SLC6A5 Q9Y345 1/20 0.43
▸ ITGB2 P05107 1/20 0.43
▸ ICAM1 P05362 1/20 0.43
▸ ITGAL P20701 1/20 0.43

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
SCHEMBL19364755 0.90 HRH3 (0.48) HRH3HRH4SLC6A5ITGB2ICAM1
SCHEMBL888751 0.86 ITGB2 (0.47) HRH3HRH4ITGB2ICAM1ITGAL
SCHEMBL10122812 0.86 ITGB2 (0.47) HRH3HRH4ITGB2ICAM1ITGAL
SCHEMBL12979930 0.81 ITGB2 (0.47) HRH3HRH4SLC6A5ITGB2ICAM1
SCHEMBL6806998 0.81 ITGB2 (0.62) SLC6A5ITGB2ICAM1ITGAL
SCHEMBL13187470 0.81 ITGB2 (0.49) HRH3HRH4SLC6A5ITGB2ICAM1
SCHEMBL8906903 0.78 HRH3 (0.47) HRH3HRH4SLC6A5ITGB2ICAM1
SCHEMBL17750695 0.77 HRH3 (0.40) HRH3HRH4SLC6A5ITGB2ICAM1
SCHEMBL15691407 0.77 HRH3 (0.40) HRH3HRH4SLC6A5ITGB2ICAM1
SCHEMBL14961161 0.73 ITGB2 (0.49) HRH3HRH4SLC6A5ITGB2ICAM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 — — US disclosed
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