SCHEMBL13898517

SCHEMBL13898517

c1ccc(-c2ccc(C3CCN(CC4CC4c4ccccc4)CC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 12/20 0.60
DRD2 P14416 6/20 0.57
DRD4 P21917 6/20 0.57
SLC18A3 Q16572 2/20 0.55

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
SCHEMBL3892595 1.00 CCR5 (0.60) CCR5DRD2DRD4SLC18A3
SCHEMBL3891405 0.82 CCR5 (0.48) CCR5DRD2DRD4SLC18A3
SCHEMBL13898261 0.82 CCR5 (0.48) CCR5DRD2DRD4SLC18A3
SCHEMBL8211043 0.82 SLC6A2 (0.57) CCR5DRD2DRD4SLC18A3
SCHEMBL8030434 0.78 SLC18A3 (0.67) CCR5DRD2SLC18A3
SCHEMBL445421 0.77 DRD2 (0.69) DRD2DRD4
SCHEMBL5363060 0.77 DRD2 (0.60) DRD2DRD4
SCHEMBL6160819 0.76 DRD2 (0.55) CCR5DRD2DRD4
SCHEMBL3890369 0.76 DRD2 (0.52) DRD2DRD4
Hydrochloric Acid SCHEMBL7227645 0.76 CCR5 (0.55) CCR5DRD2DRD4SLC18A3

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
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed
US-7498344-B2 Arylpiperidinol and arylpiperidine derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2009-03-03 US disclosed