SCHEMBL26094010

SCHEMBL26094010

O=CC=CN1CCCC(N2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
OPRL1 P41146 2/20 0.33
HPGD P15428 1/20 0.33
EPHX2 P34913 1/20 0.32
HSD11B1 P28845 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ACHE P22303 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL26091356 0.95 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL26090581 0.79 HRH3 (0.39) L3MBTL3L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL26093792 0.79 HRH3 (0.36) KDM4EALDH1A1LMNAHRH3MEN1
SCHEMBL1306587 0.77 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL644944 0.76 RECQL (0.48) SMN1; SMN2L3MBTL1ALDH1A1RECQLHPGD
SCHEMBL14582189 0.76 RECQL (0.48) SMN1; SMN2L3MBTL1ALDH1A1RECQLHPGD
Hydrochloric Acid SCHEMBL31693240 0.75 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL3L3MBTL1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL31693414 0.75 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL2791591 0.74 RECQL (0.47) SMN1; SMN2L3MBTL1KDM4EALDH1A1LMNA
SCHEMBL19775351 0.73 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL3L3MBTL1KDM4EALDH1A1

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
WO-2023066190-A1 COMPOUNDS AND THEIR USES AS GPR183 INHIBITORS NANJING IMMUNOPHAGE BIOTECH CO., LTD (CN) 2023-04-27 WO claimed