SCHEMBL5331468

SCHEMBL5331468

CC(=O)Nc1ccc2[nH]cc(C3CCN(C(O)CC4CCN(C(=O)OCc5ccccc5)CC4)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.54
HTR1B P28222 12/20 0.54
HTR1A P08908 2/20 0.54
HTR1F P30939 2/20 0.54
CCR2 P41597 6/20 0.47
BTK Q06187 1/20 0.46

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
SCHEMBL5322832 0.86 HTR1D (0.54) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL27481407 0.76 HTR1D (0.68) HTR1DHTR1BHTR1AHTR1FBTK
SCHEMBL2935082 0.74 HTR1D (0.61) HTR1DHTR1BHTR1AHTR1FBTK
SCHEMBL8067557 0.74 HTR1D (0.53) HTR1DHTR1BHTR1AHTR1FBTK
SCHEMBL4676594 0.74 SLC6A4 (0.53)
SCHEMBL5456752 0.73 HTR1D (0.62) HTR1DHTR1BHTR1AHTR1FCCR2
SCHEMBL5328392 0.72 OPRM1 (0.46) HTR1DHTR1BCCR2BTK
SCHEMBL7487827 0.72 HTR1D (1.00) HTR1DHTR1BHTR1AHTR1F
SCHEMBL4671108 0.72 JAK2 (0.45) HTR1DHTR1BBTK
SCHEMBL8096479 0.71 HSD11B1 (0.55) HTR1DHTR1BHTR1ABTK

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
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO disclosed