SCHEMBL24736805

SCHEMBL24736805

Nc1ncnn2c(C3CC(OCc4ccccc4)C(COCc4ccccc4)O3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 1/20 0.38
▸ HSPA5 P11021 1/20 0.37
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ DOT1L Q8TEK3 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ GJB2 P29033 1/20 0.34
▸ MERTK Q12866 2/20 0.33
▸ AXL P30530 1/20 0.33
▸ RIPK1 Q13546 1/20 0.33
▸ SSTR1 P30872 3/20 0.33
▸ SSTR2 P30874 3/20 0.33
▸ SSTR4 P31391 3/20 0.33
▸ SSTR3 P32745 3/20 0.33
▸ SSTR5 P35346 3/20 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
SCHEMBL17106818 0.82 HTR1A (0.43) HSPA5CA1CA2CA9PDE2A
SCHEMBL17106820 0.82 HTR1A (0.43) HSPA5CA1CA2CA9PDE2A
SCHEMBL25598746 0.82 HTR1A (0.43) HSPA5CA1CA2CA9PDE2A
SCHEMBL23584717 0.81 HRH4 (0.47) HSPA5DOT1LTAAR1
SCHEMBL20144183 0.81 HRH4 (0.47) HSPA5DOT1LTAAR1
SCHEMBL10112577 0.80 DOT1L (0.36) DOT1LGJB2
SCHEMBL19227796 0.79 PDE2A (0.49) HSPA5CA1CA2CA9PDE2A
SCHEMBL18636426 0.79 PDE2A (0.49) HSPA5CA1CA2CA9PDE2A
SCHEMBL22434801 0.79 PDE2A (0.39) HSPA5CA1CA2CA9PDE2A
SCHEMBL18666890 0.79 HSPA5 (0.36) HSPA5PDE2ADOT1LTAAR1HTR1A

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-2022221514-A1 METHODS OF PREPARING CARBANUCLEOSIDES USING AMIDES GILEAD SCIENCES, INC. (US) 2022-10-20 — — WO disclosed
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