SCHEMBL11064495

SCHEMBL11064495

CC(=O)C1(c2ccccc2)CCN(CCCOc2ccc3[nH]c(=O)ccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.56
DRD3 P35462 6/20 0.56
DRD4 P21917 5/20 0.56
KDR P35968 2/20 0.49
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
PDE5A O76074 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
PTAFR P25105 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PMP22 Q01453 1/20 0.47

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
SCHEMBL11061374 0.95 KDR (0.51) DRD2DRD3DRD4KDRPDE3B
SCHEMBL10668573 0.78 DRD3 (0.71) DRD2DRD3DRD4HRH3
SCHEMBL11070987 0.78 DRD2 (0.60) DRD2DRD3DRD4HTR7
SCHEMBL11062767 0.78 MAOA (0.66) DRD2DRD3DRD4
SCHEMBL11064059 0.76 HRH3 (0.46) HRH3HTR7
SCHEMBL23097703 0.75 DRD2 (0.72) DRD2DRD3DRD4ALDH1A1HPGD
SCHEMBL23097707 0.75 DRD3 (0.62) DRD2DRD3DRD4HRH3
SCHEMBL11065503 0.75 OPRM1 (0.53) HTR7
SCHEMBL23097661 0.75 DRD3 (0.65) DRD2DRD3DRD4HRH3
SCHEMBL11073538 0.74 HTR7 (0.45) DRD2DRD3DRD4HRH3HTR7

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed