SCHEMBL31749917

SCHEMBL31749917

Cn1cnc2ccc(C3=CCCN(C(=O)OC(C)(C)C)C3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 2/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ ESR2 Q92731 1/20 0.38
▸ GPR119 Q8TDV5 3/20 0.38
▸ SYK P43405 1/20 0.37
▸ PIK3CD O00329 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ HCAR1 Q9BXC0 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ PRMT5 O14744 3/20 0.36
▸ WDR77 Q9BQA1 3/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ SLC16A3 O15427 1/20 0.35
▸ SLC16A1 P53985 1/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35
▸ GABRG2 P18507 1/20 0.35

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
SCHEMBL31749310 0.89 NAMPT (0.40) CDK9DYRK1AGPR119SYKCHRM1
SCHEMBL24792702 0.77 ALDH1A1 (0.39) ESR2NR1H2
SCHEMBL20281771 0.77 WNT3A (0.46) ESR2GPR119NR1H2GRM5
SCHEMBL3986657 0.77 ESR2 (0.45) ESR2GPR119NR1H2
SCHEMBL17184835 0.76 POLB (0.43) CDK9ESR2GPR119NR1H2GRM5
SCHEMBL29197658 0.76 ESR2 (0.55) ESR2GPR119PIK3CDNR1H2
SCHEMBL25429308 0.76 WDR5 (0.42) ESR2GPR119NR1H2
SCHEMBL19458937 0.76 GPR119 (0.41) ESR2GPR119NR1H2
SCHEMBL22944325 0.76 MAPK1 (0.44) ESR2GPR119NR1H2
SCHEMBL31333649 0.75 TBK1 (0.44) CDK9ESR2GPR119NR1H2GRM5

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-2025264844-A1 HETEROCYCLIC GPR52 MODULATORS AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2025-12-26 — — WO disclosed
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