SCHEMBL6455895

SCHEMBL6455895

COc1ccccc1C(C)[C@H]1CNCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.41
SLC6A4 P31645 7/20 0.41
SLC6A3 Q01959 5/20 0.41
HTR2C P28335 3/20 0.40
ADRA2C P18825 1/20 0.39
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR3A P46098 2/20 0.36
HTR6 P50406 2/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
DRD2 P14416 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD3 P35462 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL5996258 0.76 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3HTR2CADRA2C
SCHEMBL28776903 0.73 HTR2C (0.54) SLC6A2SLC6A4SLC6A3HTR2CADRA2C
SCHEMBL25355557 0.73 HTR2C (0.54) SLC6A2SLC6A4SLC6A3HTR2CADRA2C
SCHEMBL1638122 0.73 HTR2C (0.54) SLC6A2SLC6A4SLC6A3HTR2CADRA2C
SCHEMBL6446174 0.72 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL11648724 0.72 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL6447627 0.70 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL23848197 0.70 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3HTR2CHTR2A
SCHEMBL7007764 0.68 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6540298 0.67 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 WO disclosed