SCHEMBL28670963

SCHEMBL28670963

COc1ccccc1N1CCN(c2nc(-c3ccc4ccccc4c3)no2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.64
▸ LMNA P02545 3/20 0.62
▸ GAA P10253 2/20 0.55
▸ THRB P10828 3/20 0.55
▸ DRD2 P14416 3/20 0.52
▸ DRD3 P35462 2/20 0.52
▸ DRD4 P21917 1/20 0.52
▸ SLC6A2 P23975 2/20 0.51
▸ SLC6A4 P31645 2/20 0.51
▸ HTR1A P08908 2/20 0.51
▸ TP53 P04637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ ADRA2A P08913 1/20 0.48

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
SCHEMBL28688233 0.88 S1PR1 (0.56) MAPTLMNAGAATHRBDRD2
SCHEMBL28667773 0.83 MAPT (0.62) MAPTLMNAGAATHRBTP53
SCHEMBL28670959 0.82 MAPT (0.50) MAPTLMNAGAATHRBTP53
SCHEMBL28665714 0.82 MAPT (0.64) MAPTLMNAGAATHRBDRD2
SCHEMBL28665709 0.82 MAPT (0.73) MAPTLMNAGAATHRBDRD2
SCHEMBL28665720 0.79 MAPT (0.54) MAPTLMNAGAATHRBDRD3
SCHEMBL28688178 0.78 MAPT (0.51) MAPTLMNAGAATHRBTP53
SCHEMBL31546357 0.78 MAPT (0.63) MAPTLMNAGAATHRBTP53
SCHEMBL28681669 0.78 MAPT (0.56) MAPTLMNAGAATHRBSLC6A2
SCHEMBL28665641 0.75 MAPT (0.58) MAPTLMNAGAATHRBHTR1A

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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