SCHEMBL29664114

SCHEMBL29664114

C[C@H]1CN(c2cccc(OCc3ccc(C#N)cn3)n2)CCN1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.41
PRKCD Q05655 1/20 0.41
PIM1 P11309 4/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
GLP1R P43220 11/20 0.40
ACVR1 Q04771 1/20 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
SCHEMBL23362294 1.00 PRKCQ (0.41) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL23362291 1.00 PRKCQ (0.41) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL23363259 0.85 HTR2C (0.44) PIM1PIM3PIM2GLP1R
SCHEMBL29664028 0.85 HTR2C (0.44) PIM1PIM3PIM2GLP1R
Hydrochloric Acid SCHEMBL31479953 0.84 HTR2C (0.45) PIM1PIM3PIM2GLP1R
SCHEMBL31321920 0.82 PDE10A (0.46) GLP1R
SCHEMBL24485785 0.82 GLP1R (0.42) PRKCQPRKCDPIM1PIM3PIM2
SCHEMBL31321888 0.82 GLP1R (0.52) GLP1R
SCHEMBL24575530 0.82 GLP1R (0.52) GLP1R
SCHEMBL26611606 0.82 GLP1R (0.52) GLP1R

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728939-B GLP-1 receptor agonists and uses thereof 日东制药株式会社 2023-12-08 CN disclosed
CN-114728939-A GLP-1 receptor agonists and uses thereof 日东制药株式会社 2022-07-08 CN disclosed