SCHEMBL8302868

SCHEMBL8302868

N#Cc1ccc(N2CCN(CCc3c[nH]c4cc(Cl)ccc34)CC2)c2c1OCCO2

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 14/20 0.63
HTR1A P08908 3/20 0.45
HTR6 P50406 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR2A P28223 1/20 0.42

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
SCHEMBL7538087 0.83 DRD2 (0.49) DRD2HTR1AHTR6KCNH2HTR2A
SCHEMBL6590608 0.82 DRD2 (0.89) DRD2HTR1A
SCHEMBL6588479 0.81 DRD2 (0.72) DRD2HTR1AHTR6KCNH2
SCHEMBL6589225 0.80 DRD2 (0.70) DRD2HTR1AHTR6KCNH2
SCHEMBL7538171 0.80 DRD2 (0.55) DRD2HTR1AHTR6KCNH2HTR2A
SCHEMBL6588695 0.77 DRD2 (0.78) DRD2HTR6KCNH2
SCHEMBL3914302 0.77 DRD2 (1.00) DRD2HTR1A
Oxalic Acid SCHEMBL6776342 0.77 DRD2 (0.66) DRD2HTR1AHTR6KCNH2
SCHEMBL6590661 0.77 DRD2 (0.66) DRD2HTR1A
SCHEMBL7533687 0.77 DRD2 (0.49) DRD2HTR1AHTR6KCNH2HTR2A

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
WO-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed