SCHEMBL27879618

SCHEMBL27879618

O=CNC1CCCN1C1(C=O)CC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADH1B P00325 4/20 0.34
▸ ADH1A P07327 4/20 0.34
▸ ADH1C P00326 3/20 0.34
▸ ADH7 P40394 2/20 0.34
▸ ADH4 P08319 1/20 0.33

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
SCHEMBL14094260 0.68 — —
SCHEMBL9917269 0.64 ADH1B (0.35) ADH1BADH1AADH1CADH7ADH4
SCHEMBL12593272 0.64 ADH1B (0.35) ADH1BADH1AADH1CADH7ADH4
SCHEMBL18696198 0.64 ALDH1A1 (0.38) ADH1BADH1AADH1CADH7ADH4
SCHEMBL7408815 0.63 POLB (0.36) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3756700 0.59 — —
SCHEMBL3939409 0.58 ADH1B (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL766819 0.58 — —
SCHEMBL1489948 0.57 ADH1B (0.54) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3926638 0.55 ADH1B (0.47) ADH1BADH1AADH1CADH7ADH4

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-102791693-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-04-13 — — CN claimed
CN-102791693-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2012-11-21 — — CN claimed
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