SCHEMBL8828451

SCHEMBL8828451

CCCNN1CCN(c2ccccc2CC)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.45
HTR1A P08908 3/20 0.45
DRD4 P21917 3/20 0.45
HTR2A P28223 3/20 0.45
HTR2C P28335 3/20 0.45
DRD3 P35462 3/20 0.45
TSHR P16473 3/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NCF1 P14598 1/20 0.41
BRD9 Q9H8M2 2/20 0.41
BRD4 O60885 1/20 0.41
BRPF1 P55201 1/20 0.41
SNCA P37840 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL8828348 0.91 BRD9 (0.40) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL8828381 0.87 DRD3 (0.38) DRD2DRD4DRD3TSHRKMT2A
SCHEMBL8828572 0.84 ADRB1 (0.49) DRD2DRD3TSHRKMT2AATM
SCHEMBL8828393 0.83 HSD17B10 (0.55) DRD2DRD4DRD3TSHRKMT2A
SCHEMBL10424519 0.82 HTR1A (0.59) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL8828510 0.80 DRD2 (0.62) DRD2HTR1ADRD4DRD3ALDH1A1
SCHEMBL8828453 0.80 DRD4 (0.46) DRD2HTR1ADRD4HTR2ADRD3
SCHEMBL8828437 0.80 HTR1A (0.41) DRD2HTR1ATSHRSNCAGLA
SCHEMBL27410085 0.80 HTR1A (0.50) DRD2HTR1ADRD4HTR2AHTR2C
SCHEMBL8828472 0.79 ALDH1A1 (0.58) DRD2DRD4DRD3TSHRKMT2A

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
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed