SCHEMBL28322327

SCHEMBL28322327

NCc1cccc(N2CCN(C=O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 3/20 0.46
▸ SIGMAR1 Q99720 2/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ PRMT6 Q96LA8 2/20 0.41
▸ GRM5 P41594 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ ADRA2C P18825 1/20 0.39

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
SCHEMBL27662780 0.87 AGXT (0.56) AGXTSIGMAR1DRD2DRD3ITGB3
SCHEMBL10224842 0.84 MGLL (0.47) AGXTSIGMAR1DRD2DRD3PRMT6
SCHEMBL27966422 0.84 AGXT (0.49) AGXTSIGMAR1DRD2DRD3ITGB3
SCHEMBL28322328 0.81 AKR1C3 (0.54) AGXTITGB3ITGA2BGRM5ALDH1A1
Ethane SCHEMBL27848243 0.81 PDGFRB (0.44) ITGB3ITGA2BALDH1A1MAPTSMN1; SMN2
SCHEMBL109316 0.80 AGXT (0.67) AGXTPRMT6ALDH1A1MAPT
SCHEMBL24677569 0.79 MEN1 (0.51) SIGMAR1GRM5ALDH1A1LMNAMAPT
SCHEMBL27468903 0.79 AGXT (0.49) AGXTSIGMAR1DRD2DRD3ITGB3
SCHEMBL109344 0.79 AGXT (0.69) AGXTPRMT6ALDH1A1MAPTADRA2C
SCHEMBL5095800 0.78 AGXT (0.65) AGXTPRMT6ALDH1A1LMNAMAPT

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
CN-110337293-A Therapeutic compound 新泽西鲁特格斯州立大学 2019-10-15 — — CN claimed
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