SCHEMBL12836635

SCHEMBL12836635

Cc1ncnn2c(C3(O)CC[C@@H](COCc4ccccc4)O3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 4/20 0.34
▸ HRH3 Q9Y5N1 4/20 0.34
▸ LMNA P02545 1/20 0.32
▸ PDE9A O76083 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30
▸ PTPN1 P18031 1/20 0.30
▸ CDC25B P30305 1/20 0.30
▸ TNK2 Q07912 1/20 0.30

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
SCHEMBL18667233 0.89 TNK2 (0.35) HRH4HRH3LMNATAAR1TNK2
SCHEMBL18666910 0.89 TNK2 (0.35) HRH4HRH3LMNATAAR1TNK2
SCHEMBL12294892 0.89 TNK2 (0.35) HRH4HRH3LMNATAAR1TNK2
SCHEMBL19343805 0.88 HRH4 (0.31) HRH4HRH3LMNATNK2
SCHEMBL19343808 0.88 HRH4 (0.31) HRH4HRH3LMNATNK2
SCHEMBL12835934 0.81 HRH4 (0.33) HRH4HRH3LMNA
SCHEMBL12243125 0.81 HRH4 (0.33) HRH4HRH3LMNA
SCHEMBL22569956 0.78 HRH4 (0.32) HRH4HRH3LMNATNK2
SCHEMBL14052168 0.77 TNK2 (0.35) HRH4HRH3LMNATAAR1TNK2
SCHEMBL18666854 0.77 TNK2 (0.35) HRH4HRH3LMNATAAR1TNK2

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
Send feedback