SCHEMBL26427730

SCHEMBL26427730

C[C@H]1CN2CCNC[C@@H]2CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.40
TSHR P16473 1/20 0.36
SETD7 Q8WTS6 1/20 0.34
HSD11B1 P28845 1/20 0.33
MAP4K4 O95819 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
AR P10275 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
HSD17B10 Q99714 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL30419362 1.00 PARP1 (0.40) PARP1TSHRSETD7HSD11B1MAP4K4
SCHEMBL31084572 1.00 PARP1 (0.40) PARP1TSHRSETD7HSD11B1MAP4K4
SCHEMBL26427727 1.00 PARP1 (0.40) PARP1TSHRSETD7HSD11B1MAP4K4
SCHEMBL30867754 0.83 SETD7 (0.39) TSHRSETD7MAP4K4CHRM2CHRM1
SCHEMBL102293 0.81 PARP1 (0.46) PARP1SETD7MAP4K4CHRM2CHRM1
SCHEMBL103217 0.81 PARP1 (0.46) PARP1SETD7MAP4K4CHRM2CHRM1
SCHEMBL102292 0.81 PARP1 (0.46) PARP1SETD7MAP4K4CHRM2CHRM1
Hydrochloric Acid SCHEMBL377440 0.80 PARP1 (0.45) PARP1SETD7MAP4K4CHRM2CHRM1
Potassium SCHEMBL30616188 0.80 PARP1 (0.45) PARP1SETD7MAP4K4CHRM2CHRM1
Methane SCHEMBL28975622 0.80 PARP1 (0.45) PARP1SETD7MAP4K4CHRM2CHRM1

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-2023067353-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed