SCHEMBL31029028

SCHEMBL31029028

CC(C)(C)OC(=O)N1CCn2c(nc3cccc(Br)c32)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.44
PARP1 P09874 2/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
GBA1 P04062 2/20 0.40
MAPK1 P28482 1/20 0.40
BACE1 P56817 1/20 0.39
POLB P06746 1/20 0.38
CKS1B P61024 1/20 0.38
SKP1 P63208 1/20 0.38
SKP2 Q13309 1/20 0.38
ESR2 Q92731 1/20 0.38
UCHL1 P09936 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL27432553 1.00 NR1H2 (0.44) NR1H2PARP1TNKS2PARP2TSHR
SCHEMBL27432029 0.82 NR1H2 (0.44) NR1H2PARP1TNKS2PARP2TSHR
SCHEMBL20139779 0.81 TSHR (0.62) NR1H2TSHRHTTMAPK1POLB
SCHEMBL31028991 0.81 HTT (0.42) TSHRHTTPOLBKCNH2
SCHEMBL1231827 0.79 GBA1 (0.44) NR1H2TSHRHTTLIPGGBA1
SCHEMBL25419579 0.77 NR1H2 (0.44) NR1H2TSHRHTTBACE1POLB
SCHEMBL30138845 0.77 NR1H2 (0.44) NR1H2TSHRHTTBACE1POLB
SCHEMBL9968767 0.77 NR1H2 (0.44) NR1H2TSHRHTTBACE1POLB
SCHEMBL10095059 0.77 CKS1B (0.47) NR1H2TSHRLIPGGBA1MAPK1
SCHEMBL20152906 0.76 PARP1 (0.45) NR1H2PARP1TNKS2PARP2TSHR

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