SCHEMBL5557093

SCHEMBL5557093

CN1CCN(C2=Nc3cc(F)ccc3Nc3ccc(C(F)(F)F)cc32)CC1CCc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.53
HRH1 P35367 1/20 0.53
PAK1 Q13153 1/20 0.53

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
SCHEMBL14365317 1.00 CHRM1 (0.53) CHRM1HRH1PAK1
SCHEMBL5558265 0.94 CHRM1 (0.49) CHRM1HRH1PAK1
SCHEMBL14365255 0.94 CHRM1 (0.49) CHRM1HRH1PAK1
SCHEMBL14156708 0.90 CHRM1 (0.53) CHRM1HRH1PAK1
SCHEMBL14511275 0.88 CHRM1 (0.56) CHRM1HRH1PAK1
SCHEMBL4836859 0.88 CHRM1 (0.52) CHRM1HRH1PAK1
SCHEMBL4836862 0.88 CHRM1 (0.52) CHRM1HRH1PAK1
Hydrochloric Acid SCHEMBL4837106 0.87 CHRM1 (0.51) CHRM1HRH1PAK1
Hydrochloric Acid SCHEMBL4837117 0.87 CHRM1 (0.51) CHRM1HRH1PAK1
Hydrochloric Acid SCHEMBL4837113 0.87 CHRM1 (0.51) CHRM1HRH1PAK1

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-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed