SCHEMBL9683750

SCHEMBL9683750

CC(CC1OCCc2ccccc21)NCC(O)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
MAPT P10636 4/20 0.40
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
XBP1 P17861 1/20 0.38

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
SCHEMBL9684696 0.91 ALDH1A1 (0.44) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL9683619 0.91 ALDH1A1 (0.44) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL9683704 0.91 ALDH1A1 (0.44) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL9683608 0.90 XBP1 (0.47) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL9684785 0.90 ADRB2 (0.44) HTR1AHTR2AADRA1AMAPTALDH1A1
SCHEMBL9684731 0.90 ADRB2 (0.44) HTR1AHTR2AADRA1AMAPTALDH1A1
SCHEMBL9683778 0.89 KDM4E (0.45) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL9684797 0.89 MAPT (0.40) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL9682923 0.88 ALDH1A1 (0.53) HTR1ADRD2DRD4HTR2AMAPT
SCHEMBL9684978 0.85 CYP2D6 (0.52) MAPTALDH1A1KMT2ALMNAGAA

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-5128369-A Antiallergens, bronchodilator agents KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-07-07 US disclosed
EP-0404197-A2 Arylalkylamine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1990-12-27 EP disclosed