SCHEMBL28834150

SCHEMBL28834150

CC(C)(C)OC(=O)N1CCC(Nc2cc(Cl)nc(C3CNCCO3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CNR1 P21554 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ SLC6A3 Q01959 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 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
Hydrochloric Acid SCHEMBL28834025 0.78 SLC6A3 (0.43) SLC6A3KCNH2TAAR1
SCHEMBL28921816 0.76 CKS1B (0.39) MAPTKDM4ESLC6A3KCNH2TAAR1
SCHEMBL23359965 0.76 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL29862718 0.76 ALDH1A1 (0.52) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL28347523 0.74 GPR119 (0.44) ALDH1A1MAPTHTTKDM4EMEN1
SCHEMBL14905398 0.72 ALDH1A1 (0.77) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL21606962 0.72 ALDH1A1 (0.62) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL1748497 0.71 ALDH1A1 (0.54) ALDH1A1MAPTNPC1MAPK1HTT
SCHEMBL27705047 0.71 PTPN1 (0.46) NPC1RAB9AMEN1KMT2A
SCHEMBL28624109 0.70 GPR119 (0.38) MAPTDDB1CRBN

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-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 — — CN disclosed
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