SCHEMBL28901075

SCHEMBL28901075

O=C(O)[C@@H]1C[C@H](OCCOCCOCCOCCOCc2ccccc2)CN1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
LIPG Q9Y5X9 1/20 0.39
EPHX2 P34913 2/20 0.39
CTSC P53634 1/20 0.39
AGTR2 P50052 3/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GRIK1 P39086 2/20 0.37
GRIA2 P42262 1/20 0.37

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
SCHEMBL20137269 1.00 DRD2 (0.41) DRD2DRD3LIPGEPHX2CTSC
SCHEMBL23462268 0.99 DRD2 (0.41) DRD2DRD3LIPGEPHX2CTSC
SCHEMBL20137259 0.88 DRD2 (0.44) DRD2DRD3LIPGEPHX2CTSC
SCHEMBL23489128 0.86 DRD2 (0.45) DRD2DRD3LIPGEPHX2CTSC
SCHEMBL6374726 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL1006306 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL5802417 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL16920345 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL1006316 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2
SCHEMBL1768681 0.86 CTSC (0.44) EPHX2CTSCAGTR2GRIK1GRIA2

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-107709305-B Novel compound 葛兰素史克知识产权开发有限公司 2020-09-29 CN disclosed