SCHEMBL9035697

SCHEMBL9035697

[CH2]CCCNCCCc1ccccc1OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MPO P05164 1/20 0.46
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.43
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
CHRM2 P08172 8/20 0.42
GRIN1 Q05586 4/20 0.42
GRIN2A Q12879 4/20 0.42
BCHE P06276 4/20 0.42
ACHE P22303 4/20 0.42
TP53 P04637 1/20 0.42
CHRM4 P08173 1/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM5 P08912 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL11140434 0.87 L3MBTL1 (0.53) ALDH1A1MAPTNPSR1L3MBTL1MAPK1
SCHEMBL21243275 0.82 ALDH1A1 (0.58) ALDH1A1MPOMAPTNPSR1L3MBTL1
SCHEMBL24712708 0.81 HRH1 (0.55) ALDH1A1MAPTNPSR1L3MBTL1MAPK1
SCHEMBL6200580 0.80 L3MBTL1 (0.56) ALDH1A1MAPTNPSR1L3MBTL1MAPK1
SCHEMBL6681802 0.77 L3MBTL1 (0.56) ALDH1A1MAPTNPSR1L3MBTL1MAPK1
SCHEMBL24713016 0.76 ALDH1A1 (0.55) ALDH1A1MPOMAPTNPSR1L3MBTL1
SCHEMBL4059772 0.75 L3MBTL1 (0.55) ALDH1A1MAPTNPSR1L3MBTL1MAPK1
SCHEMBL9038183 0.74 L3MBTL1 (0.53) ALDH1A1MAPTNPSR1L3MBTL1MAPK1
SCHEMBL9027053 0.74 ALDH1A1 (0.57) ALDH1A1MAPTNPSR1L3MBTL1MAPK1
SCHEMBL6682611 0.74 THRB (0.55) ALDH1A1MAPTNPSR1L3MBTL1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed