SCHEMBL30964288

SCHEMBL30964288

CNc1cc(NC(=O)CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1OC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.58
▸ TSHR P16473 3/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ DRD2 P14416 5/20 0.54
▸ HTR2A P28223 4/20 0.54
▸ HTR1A P08908 1/20 0.54
▸ CACNA1G O43497 2/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ DRD4 P21917 2/20 0.53
▸ DRD3 P35462 2/20 0.53
▸ DRD1 P21728 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ FAAH O00519 1/20 0.50
▸ GFER P55789 1/20 0.50

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
SCHEMBL30964244 0.79 ALDH1A1 (0.61) KMT2ATSHRALDH1A1MEN1GAA
SCHEMBL30964277 0.77 ALDH1A1 (0.59) KMT2ATSHRALDH1A1MEN1GAA
SCHEMBL17946113 0.77 DRD2 (0.73) KMT2ATSHRALDH1A1NPSR1MEN1
SCHEMBL17946603 0.76 CACNA1G (0.72) KMT2ATSHRALDH1A1NPSR1MEN1
SCHEMBL30964256 0.74 HTR1A (0.56) KMT2ANPSR1MEN1GAADRD2
SCHEMBL14494939 0.74 HTR1A (0.58) KMT2AALDH1A1MEN1DRD2HTR2A
SCHEMBL14494938 0.72 HTR1A (0.58) KMT2AALDH1A1DRD2HTR2AHTR1A
SCHEMBL1577875 0.72 KMT2A (0.70) KMT2ATSHRMEN1GAADRD2
SCHEMBL22303317 0.71 DRD2 (0.60) DRD2HTR2AHTR1ADRD4DRD3
SCHEMBL22302903 0.71 DRD2 (0.60) DRD2HTR2AHTR1ADRD4DRD3

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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