SCHEMBL6220987

SCHEMBL6220987

CC1Cc2cc(CCCN3CCN(c4n[nH]c5ccccc45)CC3)ccc2NC1=O.O=C1CCc2ccccc2N1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 18/20 0.49
HTR2A P28223 11/20 0.49
HTR1A P08908 10/20 0.49
HTR7 P34969 3/20 0.49
SLC6A4 P31645 3/20 0.49
DRD4 P21917 3/20 0.49
DRD3 P35462 3/20 0.49
HTR2C P28335 2/20 0.49
HTR6 P50406 1/20 0.45
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL6219285 0.93 DRD2 (0.47) DRD2HTR2AHTR1AHTR7SLC6A4
SCHEMBL6219855 0.88 HTR2A (0.51) DRD2HTR2AHTR1ASLC6A4HTR2C
SCHEMBL6220416 0.81 DRD2 (0.47) DRD2HTR2AHTR1AHTR7SLC6A4
SCHEMBL6219541 0.80 HTR2A (0.65) DRD2HTR2AHTR1AHTR7HTR6
SCHEMBL6222349 0.78 HTR2A (0.54) DRD2HTR2AHTR1AHTR7DRD4
SCHEMBL6221472 0.77 DRD2 (0.44) DRD2HTR2AHTR1AHTR7SLC6A4
SCHEMBL6218530 0.76 HTR2A (0.51) DRD2HTR2AHTR1AHTR7SLC6A4
SCHEMBL6219780 0.75 PARP1 (0.42) DRD2HTR2AHTR1AHTR7SLC6A4
SCHEMBL6220739 0.75 HTR2A (0.70) DRD2HTR2AHTR1AHTR7SLC6A4
SCHEMBL6219902 0.73 PARP1 (0.44) DRD2HTR2AHTR1AHTR7SLC6A4

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-1546143-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2005-06-29 EP disclosed
WO-2004026864-A1 HETEROCYCLIC SUBSTITUTED PIPERAZINES FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2004-04-01 WO disclosed