SCHEMBL8970802

SCHEMBL8970802

CCN1CCC(CC(=O)Cc2cc(Cl)c(N)cc2OC)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 9/20 0.61
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
ACHE P22303 4/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50

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
Hydrochloric Acid SCHEMBL8971667 0.99 HTR4 (0.60) HTR4DRD2DRD4ACHEMEN1
SCHEMBL8971342 0.92 HTR4 (0.63) HTR4DRD2DRD4ACHEMEN1
Hydrochloric Acid SCHEMBL8970748 0.91 HTR4 (0.62) HTR4DRD2DRD4ACHEMEN1
SCHEMBL3230370 0.90 HTR4 (0.64) HTR4DRD2DRD4ACHEMEN1
SCHEMBL8971324 0.89 HTR4 (0.60) HTR4DRD2DRD4ACHEMEN1
Hydrochloric Acid SCHEMBL8973729 0.89 HTR4 (0.63) HTR4DRD2DRD4ACHEMEN1
Hydrochloric Acid SCHEMBL8971374 0.88 DRD2 (0.52) HTR4DRD2DRD4ACHEMEN1
Hydrochloric Acid SCHEMBL8971647 0.88 DRD2 (0.52) HTR4DRD2DRD4ACHEMEN1
Hydrochloric Acid SCHEMBL8971438 0.87 HTR4 (0.63) HTR4DRD2DRD4ACHEMEN1
Hydrochloric Acid SCHEMBL8971855 0.86 DRD2 (0.50) HTR4DRD2DRD4ACHEMEN1

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
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed