SCHEMBL11236719

SCHEMBL11236719

O=C(c1ccccc1)C1(O)CC2CCC(C1)N2CCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.53
DRD4 P21917 9/20 0.53
HTR2A P28223 5/20 0.53
HRH1 P35367 5/20 0.53
HTR1A P08908 4/20 0.53
SLC18A3 Q16572 2/20 0.51
HTR2C P28335 4/20 0.45
SIGMAR1 Q99720 1/20 0.45
SLC6A3 Q01959 5/20 0.45
DRD3 P35462 5/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 2/20 0.44
ADRA2A P08913 2/20 0.44
ADRA2B P18089 2/20 0.44
ADRA2C P18825 2/20 0.44
CACNA1F O60840 2/20 0.43
DRD1 P21728 2/20 0.43
HRH2 P25021 2/20 0.43
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 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
SCHEMBL11241625 0.84 SLC18A3 (0.47) DRD2DRD4HTR2AHRH1HTR1A
SCHEMBL11236713 0.78 DRD2 (0.49) DRD2DRD4HTR2AHRH1HTR1A
SCHEMBL11236973 0.74 SLC18A3 (0.51) DRD2DRD4HTR2AHRH1HTR1A
SCHEMBL11235122 0.74 DRD2 (0.57) DRD2DRD4HTR2AHRH1HTR1A
SCHEMBL11247347 0.73 HTR3E (0.51) DRD2SIGMAR1SLC6A3OPRM1OPRD1
SCHEMBL11244145 0.70 CYP2D6 (0.57) DRD2DRD4HTR2AHRH1HTR1A
SCHEMBL11245054 0.70 SLC18A3 (0.43) DRD2DRD4HTR2AHRH1HTR1A
SCHEMBL10554386 0.68 SLC6A3 (0.60) DRD2DRD4HTR2AHRH1HTR1A
SCHEMBL9053117 0.68 DRD2 (0.77) DRD2DRD4HTR2AHRH1HTR1A
Hydrochloric Acid SCHEMBL10557900 0.68 SLC6A3 (0.59) DRD2DRD4HTR2AHRH1HTR1A

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-4366154-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS SANDOZ, INC. (US) 1982-12-28 US claimed
US-4366154-A TRANQUILIZERS; PSYCHOLOGICAL DISORDERS SANDOZ, INC. (US) 1982-12-28 US disclosed