SCHEMBL6446174

SCHEMBL6446174

COc1cccc(C(C)[C@H]2CNCCN2)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 1/20 0.51
HTR2C P28335 4/20 0.41
EED O75530 1/20 0.41
POLB P06746 1/20 0.40
ADRB1 P08588 1/20 0.39
CASR P41180 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 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
SCHEMBL8534452 0.80 SLC6A4 (0.49) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL7353471 0.77 EED (0.52) SLC6A2SLC6A4SLC6A3HTR2CEED
SCHEMBL1637555 0.74 HTR2C (0.56) HTR2CEEDADRB1HTR2AHTR2B
SCHEMBL1637389 0.74 HTR2C (0.56) HTR2CEEDADRB1HTR2AHTR2B
SCHEMBL1636847 0.74 HTR2C (0.56) HTR2CEEDADRB1HTR2AHTR2B
SCHEMBL6455895 0.72 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3HTR2CADRB1
SCHEMBL27730686 0.72 POLB (0.50) SLC6A2SLC6A4SLC6A3HTR2CPOLB
SCHEMBL12330901 0.70 POLB (0.49) SLC6A2SLC6A4SLC6A3HTR2CEED
SCHEMBL12330950 0.70 POLB (0.49) SLC6A2SLC6A4SLC6A3HTR2CEED
SCHEMBL6447627 0.70 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3HTR2CHTR2A

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