SCHEMBL22932912

SCHEMBL22932912

N#Cc1ccc(CNc2cccc(N3CCNCC3)n2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.46
▸ DRD2 P14416 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ACHE P22303 2/20 0.41
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ CHEK1 O14757 3/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ VNN1 O95497 1/20 0.38

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
SCHEMBL22391597 0.85 HTR3E (0.47) DPP4ACHEHTR3EHTR3BALDH1A1
SCHEMBL22932932 0.81 TRPA1 (0.38) DRD2DRD3HRH4VNN1LMNA
SCHEMBL22932935 0.80 GPR119 (0.48) ACHE
SCHEMBL29574507 0.79 GLP1R (0.51) GLP1R
SCHEMBL20266485 0.79 GLP1R (0.51) GLP1R
SCHEMBL30149382 0.79 HSD11B1 (0.41) VNN1
SCHEMBL22933002 0.79 HSD11B1 (0.41) VNN1
Hydrochloric Acid SCHEMBL30149399 0.78 GLP1R (0.51) GLP1R
Hydrochloric Acid SCHEMBL29640511 0.78 GLP1R (0.51) GLP1R
Hydrochloric Acid SCHEMBL28801252 0.78 GLP1R (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021018023-A1 SMALL MOLECULE GLP-1 RECEPTOR MODULATOR 济南泰达领创医药技术有限公司 2021-02-04 — — WO disclosed
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