SCHEMBL9185490

SCHEMBL9185490

CCCCN(CCCC)C1CCc2cccc(Cl)c2C1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.69
HTR7 P34969 3/20 0.60
DRD2 P14416 3/20 0.60
DRD3 P35462 3/20 0.60
HTR1D P28221 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
HTR1B P28222 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
HTR2B P41595 1/20 0.60
HTR5A P47898 1/20 0.60
BLM P54132 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
PMP22 Q01453 1/20 0.59

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
SCHEMBL8315435 0.92 HTR1A (0.71) HTR1AHTR7DRD2DRD3HTR1D
SCHEMBL9183738 0.86 DRD2 (0.58) HTR1AHTR7DRD2DRD3HTR1D
Hydrochloric Acid SCHEMBL6961243 0.85 DRD2 (0.57) HTR1AHTR7DRD2DRD3HTR1D
SCHEMBL8892193 0.82 HTR1A (1.00) HTR1AHTR7DRD2DRD3HTR1D
SCHEMBL9190906 0.82 HTR1A (0.70) HTR1AHTR7DRD2DRD3HTR1D
SCHEMBL8891564 0.81 DRD2 (0.75) HTR1AHTR7DRD2DRD3HTR1D
SCHEMBL9759195 0.79 DRD2 (0.52) DRD2DRD3
SCHEMBL9186160 0.78 CHRM3 (0.67) HTR1AHTR7DRD2DRD3HTR1D
SCHEMBL9189284 0.77 HTR1D (0.46) HTR1AHTR7DRD2DRD3HTR1D
SCHEMBL6542199 0.76 HTR1A (0.72) HTR1AHTR7DRD2DRD3HTR1D

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-5389687-A Selective antagonists of serotonin ELI LILLY AND COMPANY (US) 1995-02-14 US disclosed