SCHEMBL8488933

SCHEMBL8488933

COc1ccc(CN(OCC(C)O)C(=O)OCc2ccccc2)cc1N1CCN(Cc2ccc3ccccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
DRD2 P14416 5/20 0.39
DRD3 P35462 5/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MCHR1 Q99705 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
USP2 O75604 1/20 0.36
MAPT P10636 1/20 0.36
PABPC1 P11940 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
EIF4H Q15056 1/20 0.36

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
SCHEMBL8491631 0.85 MAPK1 (0.51) DRD2DRD3KMT2APOLBHTR7
SCHEMBL8487210 0.85 HTR7 (0.44) DRD2DRD3KMT2APOLBHTR1A
SCHEMBL8488928 0.80 ALDH1A1 (0.44) FAAHMEN1KMT2AMCHR1POLB
SCHEMBL7373473 0.74 HTR7 (0.45) DRD2DRD3MEN1KMT2APOLB
SCHEMBL7370826 0.73 HTR7 (0.43) DRD2DRD3MEN1KMT2APOLB
SCHEMBL8488927 0.73 FAAH (0.39) FAAHDRD2DRD3MEN1KMT2A
SCHEMBL7377179 0.72 HTR7 (0.41) DRD2DRD3MEN1KMT2APOLB
SCHEMBL8489110 0.71 MAPK1 (0.51) DRD2DRD3KMT2APOLBHTR1A
SCHEMBL8488822 0.71 DRD2 (0.43) DRD2DRD3POLBLMNAHTR7
SCHEMBL8541317 0.70 DRD2 (0.41) DRD2DRD3POLBLMNAHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5929074-A VSODILATOR, ANTIALLERGIC AND ANTIPLATELET AGENTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-27 US disclosed
US-5728702-A BRONCHODILATOR AGENTS, ANTIALLERGENS OR ANTIPLATELET DRUGGS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-17 US disclosed