SCHEMBL8663029

SCHEMBL8663029

CC1N[C@@H](C)COC1c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.33
CYP19A1 P11511 1/20 0.33
KDM1A O60341 2/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
EPHX1 P07099 2/20 0.32
PRCP P42785 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8837299 1.00 CHRNA7 (0.38) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL8663027 1.00 CHRNA7 (0.38) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL8837298 1.00 CHRNA7 (0.38) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
Hydrochloric Acid SCHEMBL8837331 0.98 CHRNA7 (0.37) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
Hydrochloric Acid SCHEMBL8837304 0.98 CHRNA7 (0.37) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
Hydrochloric Acid SCHEMBL8663424 0.98 CHRNA7 (0.37) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
Hydrochloric Acid SCHEMBL8663419 0.98 CHRNA7 (0.37) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL8663225 0.82 TAAR1 (0.43) SLC6A2ADRA1AHTR2BSLC6A3CYP19A1
SCHEMBL8649735 0.82 TAAR1 (0.43) SLC6A2ADRA1AHTR2BSLC6A3CYP19A1
SCHEMBL8649738 0.82 TAAR1 (0.43) SLC6A2ADRA1AHTR2BSLC6A3CYP19A1

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
US-5760224-A ANTIDEPRESSANTS FOR TREATING PSYCHOLOGICAL DISORDERS GLAXO WELLCOME INC. (US) 1998-06-02 US disclosed
EP-0583271-A1 ARYLMORPHOLINE, PREPARATION AND USE THE WELLCOME FOUNDATION LIMITED (GB) 1994-02-23 EP disclosed
WO-1992018489-A1 ARYLMORPHOLINE, PREPARATION AND USE THE WELLCOME FOUNDATION LIMITED (GB) 1992-10-29 WO disclosed