SCHEMBL28465327

SCHEMBL28465327

CP1CCN(c2nccc(CO)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SORD Q00796 9/20 0.41
▸ NR1H2 P55055 1/20 0.37
▸ AOC3 Q16853 2/20 0.35
▸ PANK3 Q9H999 1/20 0.35
▸ ACHE P22303 3/20 0.34
▸ PIK3CA P42336 1/20 0.34

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
SCHEMBL16815333 0.81 ACHE (0.50) SORDACHE
SCHEMBL28059125 0.81 ACHE (0.46) SORDACHE
SCHEMBL16815392 0.80 PIK3CA (0.51) SORDACHEPIK3CA
SCHEMBL20745663 0.79 SORD (0.41) SORDNR1H2AOC3PANK3PIK3CA
SCHEMBL20745038 0.78 PIK3CA (0.50) SORDACHEPIK3CA
SCHEMBL20746289 0.78 PIK3CA (0.50) SORDACHEPIK3CA
SCHEMBL20745280 0.78 ACHE (0.50) SORDNR1H2AOC3ACHEPIK3CA
SCHEMBL20745655 0.77 SORD (0.40) SORDNR1H2AOC3PANK3ACHE
SCHEMBL20746494 0.76 TRPV3 (0.42) SORDNR1H2AOC3PANK3
SCHEMBL22262291 0.76 ACHE (0.52) SORDNR1H2AOC3PANK3ACHE

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
CN-111818916-A Macrocyclic MCL-1 inhibitors and methods of use 艾伯维公司 2020-10-23 — — CN disclosed
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