SCHEMBL11077909

SCHEMBL11077909

NN1CCN(CCCCC(=O)c2ccccc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ KMT2A Q03164 5/20 0.58
▸ MAPT P10636 3/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ GFER P55789 1/20 0.56
▸ HTR1A P08908 3/20 0.56
▸ DRD3 P35462 2/20 0.56
▸ HTR2A P28223 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ HTR7 P34969 1/20 0.56
▸ HRH1 P35367 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ ADRA1D P25100 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ ADRA1B P35368 1/20 0.56
▸ HDAC3 O15379 1/20 0.53
▸ HDAC4 P56524 1/20 0.53

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
SCHEMBL5182996 0.87 ALDH1A1 (0.76) DRD2ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL2834503 0.86 ALDH1A1 (0.79) DRD2ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL11756285 0.85 HTR1A (0.70) DRD2HTR1AHTR2ASLC6A4HTR7
SCHEMBL13089316 0.85 ALDH1A1 (0.66) DRD2ALDH1A1KMT2AHTR7
SCHEMBL7385393 0.84 DRD2 (0.58) DRD2ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL7386508 0.83 MAPT (0.61) DRD2ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL7390493 0.83 MAPT (0.61) DRD2ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL7390501 0.83 MAPT (0.61) DRD2ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL7393085 0.82 DRD2 (0.60) DRD2ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL16026463 0.81 KMT2A (0.83) ALDH1A1KMT2AMAPTGFERHTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430342-A CARDIOVASCULAR DISORDERS Hidaka, Hiroyoshi (JP) 1984-02-07 — — US disclosed
US-4421754-A ANTICOAGULANTS, MUSCLE RELAXANT Hidaka, Hiroyoshi (JP) 1983-12-20 — — US disclosed
EP-0076952-A1 N-acyl-3-(4-(benzoylalkyl)piperazin-1-yl)-sydnonimine compound, process for production thereof, and use thereof Hidaka, Hiroyoshi (JP) 1983-04-20 — — EP disclosed
EP-0073345-A2 Sydnonimine derivatives, process for production thereof, and use thereof Hidaka, Hiroyoshi (JP) 1983-03-09 — — EP disclosed
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