SCHEMBL28930626

SCHEMBL28930626

Clc1ccc(N2CCN(c3nc(-c4ccc5ccccc5c4)no3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.68
▸ GAA P10253 1/20 0.68
▸ THRB P10828 1/20 0.55
▸ ALDH1A1 P00352 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HTR1A P08908 3/20 0.48
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ SLC6A4 P31645 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ CETP P11597 2/20 0.43

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
SCHEMBL28665641 0.90 MAPT (0.58) MAPTGAATHRBALDH1A1LMNA
SCHEMBL28665720 0.90 MAPT (0.54) MAPTGAATHRBALDH1A1LMNA
SCHEMBL28688168 0.88 MAPT (0.53) MAPTGAATHRBALDH1A1SLC6A4
SCHEMBL28681669 0.88 MAPT (0.56) MAPTGAATHRBALDH1A1LMNA
SCHEMBL28667773 0.86 MAPT (0.62) MAPTGAATHRBALDH1A1LMNA
SCHEMBL28661668 0.86 MAPT (0.51) MAPTGAATHRBALDH1A1LMNA
SCHEMBL28665638 0.83 MAPT (0.48) MAPTGAATHRBHTR1ATP53
SCHEMBL28688178 0.83 MAPT (0.51) MAPTGAATHRBALDH1A1LMNA
SCHEMBL28676593 0.83 MAPT (0.53) MAPTGAATHRBALDH1A1LMNA
SCHEMBL28680258 0.81 MAPT (0.53) MAPTGAATHRBALDH1A1LMNA

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-108658889-B 1,2, 4-oxadiazole-aryl piperazine compound containing naphthalene ring and preparation method and application thereof 贵州医科大学 2021-12-17 — — CN disclosed
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