SCHEMBL28624347

SCHEMBL28624347

FC(F)OC1CC(OCc2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
NAAA Q02083 3/20 0.42
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
DPP4 P27487 1/20 0.41
TMEM97 Q5BJF2 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP2C19 P33261 1/20 0.39
AGTR2 P50052 2/20 0.39
TSHR P16473 1/20 0.38
SLC6A3 Q01959 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
SLC18A3 Q16572 1/20 0.36

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
SCHEMBL21390327 0.83 CTSL (0.45) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL23294689 0.83 CTSL (0.45) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL25793999 0.80 CTSL (0.43) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL743122 0.78 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL11023393 0.78 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL989623 0.78 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL2413105 0.78 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL2410089 0.78 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL743123 0.78 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL2413107 0.78 CTSL (0.50) CTSLCTSBCTSKNAAAOPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072546-B Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业股份有限公司 2025-05-30 CN disclosed
CN-113072546-A Five-membered heteroaromatic derivative and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed