SCHEMBL12835934

SCHEMBL12835934

Cc1ncnn2c([C@]3(O)O[C@H](COCc4ccccc4)C[C@H]3OCc3ccccc3)ccc12

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.33
▸ HRH3 Q9Y5N1 4/20 0.33
▸ PDE4D Q08499 1/20 0.31
▸ LMNA P02545 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
SCHEMBL12243125 1.00 HRH4 (0.33) HRH4HRH3PDE4DLMNA
SCHEMBL12243148 0.89 TNK2 (0.34) HRH4HRH3PDE4DLMNA
SCHEMBL23823026 0.89 TNK2 (0.34) HRH4HRH3PDE4DLMNA
SCHEMBL12835932 0.85 BACE1 (0.32) HRH4HRH3
SCHEMBL13667662 0.84 PTPN1 (0.37) —
SCHEMBL10120783 0.81 TNK2 (0.36) —
SCHEMBL12836635 0.81 HRH4 (0.34) HRH4HRH3LMNA
SCHEMBL23278048 0.80 TNK2 (0.33) HRH4HRH3PDE4DLMNA
SCHEMBL22579701 0.79 HRH4 (0.31) HRH4HRH3
SCHEMBL12243226 0.79 NPC1 (0.37) —

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
WO-2011035250-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF 1'-SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS GILEAD SCIENCES, INC. (US) 2011-03-24 — — WO disclosed
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