SCHEMBL22461945

SCHEMBL22461945

CN[C@@H](Cc1ccc(O)cc1)C(=O)NCCOC

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHRND Q07001 6/20 0.47
▸ CHRNA1 P02708 2/20 0.47
▸ CHRNG P07510 2/20 0.47
▸ CHRNB1 P11230 2/20 0.47
▸ GRIA1 P42261 4/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44

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
SCHEMBL16254362 0.87 L3MBTL1 (0.51) CTSLCTSSCTSK
SCHEMBL23177850 0.87 L3MBTL1 (0.51) CTSLCTSSCTSK
SCHEMBL19477907 0.84 CHRND (0.54) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL19477879 0.84 CYP3A4 (0.50) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL19477908 0.82 CHRND (0.61) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL15359366 0.81 GRIA1 (0.46) CHRNDCHRNA1CHRNGCHRNB1GRIA1
SCHEMBL10756316 0.80 TSHR (0.46) CTSLCTSSCTSK
SCHEMBL8022821 0.79 MMP1 (0.51) CTSLESR1ESR2
SCHEMBL7029376 0.79 MMP1 (0.51) CTSLESR1ESR2
SCHEMBL21415384 0.78 GRIA1 (0.46) CHRNDCHRNA1CHRNGCHRNB1GRIA1

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
WO-2021113820-A1 CONJUGATES AND METHODS FOR TREATING LIVER FIBROSIS GENEVANT SCIENCES GMBH (CH) 2021-06-10 — — WO disclosed
WO-2020191207-A1 THERAPEUTIC METHODS FOR TREATING HEPATITIS B ARBUTUS BIOPHARMA CORPORATION (CA) 2020-09-24 — — WO disclosed
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