SCHEMBL28550488

SCHEMBL28550488

O=C(O)C1CCCCNO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
SLC6A1 P30531 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SLC6A11 P48066 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
PMP22 Q01453 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 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
SCHEMBL23829600 0.93
SCHEMBL30967254 0.71 SLC6A1 (0.44) LMNASLC6A1TSHRSMN1; SMN2SLC6A11
SCHEMBL28530858 0.67
SCHEMBL23853579 0.66 CCR2 (0.37) LMNASMN1; SMN2MEN1KMT2ABLM
SCHEMBL70127 0.66 LMNA (0.42) LMNASLC6A1TSHRSMN1; SMN2SLC6A11
SCHEMBL10669324 0.66 LMNA (0.42) LMNASLC6A1TSHRSMN1; SMN2SLC6A11
SCHEMBL7381082 0.65 NOS2 (0.43) TSHRSMN1; SMN2MEN1KMT2ACES2
SCHEMBL9305499 0.65
SCHEMBL8086969 0.65
SCHEMBL5026802 0.65 NOS2 (0.43) TSHRSMN1; SMN2MEN1KMT2ACES2

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-112654617-A Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2021-04-13 CN claimed
CN-112654617-A Immunomodulator, composition and preparation method thereof 贝达药业股份有限公司 2021-04-13 CN disclosed