SCHEMBL11235162

SCHEMBL11235162

O=C1CC2CCC(C1)N2CCCC1(c2ccc(F)cc2)OCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.38
HTR1A P08908 8/20 0.38
HTR2A P28223 8/20 0.38
HRH1 P35367 8/20 0.38
DRD3 P35462 7/20 0.38
DRD4 P21917 6/20 0.38
HTR2C P28335 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SLC6A3 Q01959 6/20 0.38
SLC6A4 P31645 5/20 0.38
SIGMAR1 Q99720 4/20 0.38
HTR7 P34969 3/20 0.38
HTR2B P41595 3/20 0.38
TMEM97 Q5BJF2 3/20 0.38
SLC6A2 P23975 5/20 0.37
DRD1 P21728 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
SCHEMBL7646399 0.72 POLB (0.47) HTR1A
SCHEMBL11238944 0.72 DRD2 (0.44) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL11238942 0.71 DRD2 (0.35) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL10854731 0.71 CCR5 (0.39) HTR1ADRD3ADRA2AADRA1ADRD1
SCHEMBL11236973 0.70 SLC18A3 (0.51) DRD2HTR1AHTR2AHRH1DRD3
SCHEMBL11618588 0.70 HTR2A (0.57) HTR2AHTR2CHTR7
SCHEMBL11233227 0.70 SLC6A3 (0.39) SLC6A3
SCHEMBL4053345 0.70 EGFR (0.32) SLC6A3SLC6A4
SCHEMBL13242104 0.70 SLC6A4 (0.36) SLC6A4HTR7
SCHEMBL7653024 0.69 KDM4E (0.47) DRD2HTR1AHTR2AHRH1DRD3

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

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