SCHEMBL25838324

SCHEMBL25838324

Cc1cc2c(c([C@@H]3CCCN3)c1)CN(C(=O)N1CCOCC1)CC2

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
AKR1C3 P42330 3/20 0.36
KIF11 P52732 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KCNK3 O14649 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL30068848 0.88 AKR1C3 (0.36) AKR1C3KIF11HRH3GAAMEN1
SCHEMBL25838327 0.87 PRMT5 (0.32)
SCHEMBL25838331 0.87 PRMT5 (0.32)
SCHEMBL25838487 0.86 HSD17B10 (0.32)
SCHEMBL25838486 0.86 HSD17B10 (0.32)
SCHEMBL25838456 0.86 PLAT (0.33) POLB
SCHEMBL25838184 0.84 ADRA1A (0.31) POLB
SCHEMBL25838333 0.84 USP19 (0.33) ALDH1A1
SCHEMBL25838326 0.82 SPR (0.33) HRH3MEN1KMT2A
SCHEMBL25837873 0.80 POLB (0.43) ALDH1A1MAPTMEN1KMT2APOLB

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 WO disclosed