SCHEMBL30775642

SCHEMBL30775642

C[C@H]([N])OCC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.42
SLC1A2 P43004 4/20 0.42
SLC1A1 P43005 4/20 0.42
CTSK P43235 5/20 0.37
CTSL P07711 2/20 0.37
CTSB P07858 2/20 0.37
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 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
SCHEMBL10274539 0.81 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL11225908 0.81 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL11965851 0.78 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL19879610 0.77 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL17011560 0.77 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL25157615 0.77 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL7538121 0.77 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL10228470 0.77 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1CTSKCTSL
SCHEMBL10068895 0.77 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1LMNA
SCHEMBL7536082 0.77 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1CTSKCTSL

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-117177744-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2023-12-05 CN disclosed