SCHEMBL31320005

SCHEMBL31320005

O[C@H]1CCN(c2ccc(Cl)c(F)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.59
NOTUM Q6P988 8/20 0.48
CDK1 P06493 1/20 0.41
CDK2 P24941 1/20 0.41
WDR91 A4D1P6 1/20 0.41

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
SCHEMBL31319985 0.87 AR (0.43) ARNOTUM
SCHEMBL17025296 0.85 AR (0.68) ARNOTUMCDK1CDK2WDR91
SCHEMBL2940353 0.83 AR (0.61) ARNOTUMCDK1CDK2WDR91
SCHEMBL27009955 0.81 AR (0.49) ARNOTUMCDK1CDK2
SCHEMBL27009890 0.81 AR (0.49) ARNOTUMCDK1CDK2
SCHEMBL24196405 0.81 AR (0.49) ARNOTUMCDK1CDK2
SCHEMBL31320008 0.81 DPP4 (0.45) ARNOTUM
SCHEMBL31320012 0.81 NOTUM (0.45) ARNOTUM
SCHEMBL1409621 0.81 NOTUM (0.68) ARNOTUM
SCHEMBL31319984 0.80 RAD51 (0.40) ARNOTUMCDK1CDK2

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-119219637-A Aromatic heterobicyclic compounds and antiviral uses thereof 苏州爱科百发生物医药技术有限公司 2024-12-31 CN disclosed