SCHEMBL30964237

SCHEMBL30964237

COc1ccc(C(=O)NCCCCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.59
▸ TSHR P16473 5/20 0.58
▸ LMNA P02545 3/20 0.58
▸ HTT P42858 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ DRD2 P14416 4/20 0.57
▸ DRD3 P35462 4/20 0.57
▸ TP53 P04637 3/20 0.57
▸ ADRA1A P35348 1/20 0.57
▸ POLB P06746 3/20 0.56
▸ USP2 O75604 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.52
▸ DRD4 P21917 1/20 0.50
▸ VDR P11473 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL30964248 0.79 DRD2 (0.68) DRD2DRD3ADRA1APOLBDRD4
SCHEMBL4686773 0.76 MAPT (0.62) MAPTTSHRLMNAHTTSMN1; SMN2
SCHEMBL1374049 0.75 KMT2A (0.60) MAPTTSHRLMNAHTTSMN1; SMN2
SCHEMBL7058045 0.73 DRD2 (0.75) DRD2DRD3ADRA1AHSD17B10
SCHEMBL4685459 0.73 DRD2 (0.63) MAPTLMNADRD2DRD3TP53
SCHEMBL30964242 0.73 DRD2 (0.62) SMN1; SMN2DRD2DRD3ADRA1ADRD4
SCHEMBL5863404 0.73 LMNA (0.74) MAPTTSHRLMNAHTTSMN1; SMN2
SCHEMBL5577816 0.72 ALDH1A1 (0.62) MAPTLMNASMN1; SMN2DRD2DRD3
SCHEMBL4689185 0.72 DRD2 (0.62) MAPTLMNADRD2DRD3TP53
SCHEMBL4684210 0.72 DRD2 (0.59) DRD2DRD3ADRA1ADRD4

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-118121699-A TPK agonists and methods of using the same for treating neurodegenerative diseases 上海日馨医药科技股份有限公司 2024-06-04 — — CN disclosed
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