SCHEMBL31029003

SCHEMBL31029003

COC(=O)N1CCn2c(nc3ccccc32)C1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.66
HTT P42858 1/20 0.64
MAPT P10636 2/20 0.63
POLB P06746 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
ALDH1A1 P00352 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.54
GRM2 Q14416 3/20 0.48
MMP14 P50281 1/20 0.47
ADAMTS5 Q9UNA0 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL20139779 0.86 TSHR (0.62) TSHRHTTMAPTPOLBSMN1; SMN2
SCHEMBL20141475 0.83 TSHR (0.77) TSHRHTTMAPTPOLBSMN1; SMN2
SCHEMBL17809495 0.73 GRM2 (0.58) TSHRHTTALDH1A1L3MBTL1GRM2
SCHEMBL24187528 0.72 ALDH1A1 (0.51) TSHRHTTMAPTPOLBSMN1; SMN2
SCHEMBL12369545 0.71 POLB (0.60) TSHRHTTMAPTPOLBSMN1; SMN2
SCHEMBL12890511 0.70 ALDH1A1 (0.54) TSHRHTTMAPTPOLBSMN1; SMN2
SCHEMBL14191672 0.70 ALDH1A1 (0.56) TSHRHTTMAPTALDH1A1L3MBTL1
SCHEMBL25419579 0.69 NR1H2 (0.44) TSHRHTTMAPTPOLBSMN1; SMN2
SCHEMBL9968767 0.69 NR1H2 (0.44) TSHRHTTMAPTPOLBSMN1; SMN2
SCHEMBL839899 0.69 ALDH1A1 (0.50) TSHRHTTMAPTSMN1; SMN2ALDH1A1

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
EP-4638455-A1 HETEROCYCLIC GLP-1 AGONISTS Gasherbrum Bio, Inc. (US) 2025-10-29 EP disclosed
WO-2024138048-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. (US) 2024-06-27 WO disclosed