SCHEMBL21370130

SCHEMBL21370130

CNc1ncc(CN2CCC(C)CC2)s1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
OGA O60502 15/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 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
SCHEMBL25625991 0.92 ALDH1A1 (0.56) ALDH1A1OGASMN1; SMN2HTTLMNA
SCHEMBL21370127 0.84 SMN1; SMN2 (0.62) ALDH1A1OGASMN1; SMN2HTTLMNA
SCHEMBL21369461 0.83 SMN1; SMN2 (0.64) ALDH1A1OGASMN1; SMN2HTTLMNA
SCHEMBL16114197 0.82 OGA (0.67) OGA
SCHEMBL22079257 0.82 SMN1; SMN2 (0.51) ALDH1A1OGASMN1; SMN2HTTLMNA
SCHEMBL22079383 0.82 SMN1; SMN2 (0.49) ALDH1A1OGASMN1; SMN2HTTLMNA
SCHEMBL16113387 0.81 OGA (0.71) ALDH1A1OGASMN1; SMN2HTTLMNA
SCHEMBL22079715 0.81 SMN1; SMN2 (0.48) ALDH1A1OGASMN1; SMN2HTTLMNA
SCHEMBL22433477 0.78 LMNA (0.46) ALDH1A1OGASMN1; SMN2HTTLMNA
SCHEMBL21370037 0.77 OGA (0.44) ALDH1A1OGASMN1; SMN2LMNA

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-2019178191-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2019-09-19 WO disclosed