SCHEMBL9683553

SCHEMBL9683553

c1ccc2c(c1)CCOC2CN1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.47
DRD4 P21917 4/20 0.47
HTR1A P08908 2/20 0.47
HTR2A P28223 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
ALDH1A1 P00352 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR1D P28221 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL7397119 0.86 DRD2 (0.63) DRD2DRD4HTR1AHTR2AADRA2A
SCHEMBL286554 0.79 GID4 (0.38) HTR2ADRD1HTR2BALDH1A1TAAR1
SCHEMBL9052776 0.78 DRD2 (0.58) DRD2DRD4HTR1AHTR2AADRA2A
SCHEMBL20964168 0.77 KEAP1 (0.57) DRD2HTR1ADRD3ALDH1A1TAAR1
SCHEMBL14903644 0.77 KEAP1 (0.57) DRD2HTR1ADRD3ALDH1A1TAAR1
SCHEMBL7404891 0.77 DRD4 (0.79) DRD2DRD4HTR1AHTR2AADRA2A
SCHEMBL297981 0.77 KCNJ1 (0.41) DRD2HTR2ADRD1HTR2BHTR1D
Hydrochloric Acid SCHEMBL8184617 0.76 DRD4 (0.77) DRD2DRD4HTR1AHTR2AADRA2A
Parachlorophenol SCHEMBL9031735 0.76 DRD2 (0.52) DRD2DRD4HTR1AHTR2AADRA2A
SCHEMBL14903763 0.75 TAAR1 (0.78) DRD2HTR1ATAAR1

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