SCHEMBL27436765

SCHEMBL27436765

COc1cccc2c1CCN2C(=O)CCl

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.70
DRD2 P14416 2/20 0.63
DRD4 P21917 2/20 0.63
AKT1 P31749 2/20 0.51
PIK3CD O00329 1/20 0.51
CYP3A4 P08684 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
PIK3CG P48736 1/20 0.51
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.45
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL27436752 0.87 NOTUM (0.72) NOTUMDRD2DRD4AKT1PIK3CD
SCHEMBL7984513 0.82 NOTUM (0.78) NOTUMDRD2DRD4AKT1PIK3CD
SCHEMBL30730960 0.82 NOTUM (1.00) NOTUMDRD2DRD4AKT1PIK3CD
SCHEMBL3895361 0.82 NOTUM (1.00) NOTUMDRD2DRD4AKT1PIK3CD
SCHEMBL5568816 0.81 NOTUM (0.76) NOTUMDRD2DRD4AKT1PIK3CD
SCHEMBL14842647 0.78 MEN1 (0.62) NOTUMDRD2DRD4AKT1PIK3CD
SCHEMBL20905152 0.78 NOTUM (0.70) NOTUMDRD2DRD4AKT1PIK3CD
SCHEMBL7737295 0.74 KMT2A (0.42) NOTUMDRD2DRD4AKT1PIK3CD
SCHEMBL23817954 0.74 ALDH1A1 (0.50) NOTUMHDAC1HDAC6MEN1KMT2A
SCHEMBL5458119 0.73 MTNR1A (0.50) NOTUMDRD2HDAC1HDAC6MEN1

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-2024133499-A1 GLYCINE DERIVATIVES WITH P2X4 RECEPTOR-BLOCKING ACTIVITY AS DIAGNOSTICS AND FOR THE TREATMENT OF PAIN, INFLAMMATION, CANCER, AND OTHER P2X4 RECEPTOR-RELATED DISEASES RHEINISCHE-FRIEDRICH-WILHELMS-UNIVERSITÄT BONN (DE) 2024-06-27 WO disclosed