SCHEMBL19768686

SCHEMBL19768686

CC[C@H]1O[C@@H](n2cc(C(=O)NCc3cccc4ccccc34)c(=O)[nH]c2=O)[C@@H](C)C1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F12 P00748 1/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ CYP2C9 P11712 2/20 0.38
▸ P2RX7 Q99572 1/20 0.38
▸ DAO P14920 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ FUT6 P51993 1/20 0.35

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
SCHEMBL25697668 1.00 F12 (0.41) F12CHRNB2CHRNA4CYP2C9P2RX7
SCHEMBL19768685 0.86 P2RY2 (0.42) DAO
SCHEMBL25697669 0.86 P2RY2 (0.42) DAO
SCHEMBL19834965 0.81 TK2 (0.45) CHRNB2CHRNA4
SCHEMBL25697671 0.80 MEN1 (0.48) —
SCHEMBL19834972 0.80 TK2 (0.46) CHRNB2CHRNA4
SCHEMBL19768688 0.80 MEN1 (0.48) —
SCHEMBL19768689 0.79 P2RY2 (0.40) —
SCHEMBL25697678 0.79 P2RY2 (0.40) —
SCHEMBL16373946 0.77 TK1 (0.52) —

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-20180016581-A1 NUCLEIC ACID COMPOUNDS FOR BINDING GROWTH DIFFERENTIATION FACTOR 8 SOMALOGIC, INC. (US) 2018-01-18 — — US disclosed
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