SCHEMBL31729435

SCHEMBL31729435

CN1C[C@H]2CN(C(=O)OC(C)(C)C)CCN2c2ncc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.41
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
SCN9A Q15858 1/20 0.40
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
GPR119 Q8TDV5 10/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
USP30 Q70CQ3 2/20 0.37

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
SCHEMBL31728771 1.00 FPR2 (0.41) FPR2SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL31729434 0.87 FPR2 (0.39) FPR2SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL30729648 0.86 MEN1 (0.43) SMARCA2SMARCA4PBRM1SCN9APIK3R1
SCHEMBL29841730 0.86 MEN1 (0.43) SMARCA2SMARCA4PBRM1SCN9APIK3R1
SCHEMBL29088953 0.86 MEN1 (0.43) SMARCA2SMARCA4PBRM1SCN9APIK3R1
SCHEMBL31729050 0.85 OPRK1 (0.34)
SCHEMBL31729420 0.83 GPR119 (0.36) FPR2SMARCA2SMARCA4PBRM1PIK3R1
SCHEMBL31728268 0.82 SMARCA2 (0.40) FPR2SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL31543875 0.82 FPR2 (0.46) FPR2SMARCA2SMARCA4PBRM1SCN9A
SCHEMBL31728778 0.81 GPR119 (0.40) FPR2SMARCA2SMARCA4PBRM1SCN9A

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-2025231563-A1 SUBSTITUTED TRICYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 WO disclosed