SCHEMBL6254147

SCHEMBL6254147

COCC[C@H]1CN(C2=Nc3ccc(F)cc3Nc3ccc(C4CC4)cc32)CCN1C

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 7/20 0.47
HRH1 P35367 1/20 0.47
PAK1 Q13153 1/20 0.47
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
DRD3 P35462 2/20 0.37

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
SCHEMBL6254149 1.00 CHRM1 (0.47) CHRM1HRH1PAK1DRD2DRD4
Succinic Acid SCHEMBL4843878 0.94 CHRM1 (0.42) CHRM1HRH1PAK1DRD2DRD4
Succinic Acid SCHEMBL4843873 0.94 CHRM1 (0.42) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL14156711 0.86 CHRM1 (0.47) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL14156710 0.86 CHRM1 (0.47) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL4845304 0.86 CHRM1 (0.40) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL14156704 0.83 CHRM1 (0.56) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL4844077 0.82 CHRM1 (0.42) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL4836972 0.82 CHRM1 (0.42) CHRM1HRH1PAK1DRD2DRD4
SCHEMBL4843467 0.82 CHRM1 (0.46) CHRM1HRH1PAK1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP claimed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO claimed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed