SCHEMBL8878708

SCHEMBL8878708

COC(=O)c1cccc2[nH]cc(C3CCN(CCCNC(=O)c4nccc5ccccc45)CC3)c12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ CCR2 P41597 17/20 0.48
▸ CYP2D6 P10635 1/20 0.44

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
SCHEMBL8878650 0.88 CCR2 (0.54) DRD2DRD3CCR2
SCHEMBL8876714 0.88 CCR2 (0.50) DRD2DRD3CCR2
SCHEMBL8878100 0.87 CCR2 (0.48) DRD2DRD3CCR2
SCHEMBL8877197 0.86 CCR2 (0.49) DRD2DRD3CCR2
SCHEMBL8877934 0.86 CCR2 (0.49) DRD2DRD3CCR2
SCHEMBL8877646 0.85 CCR2 (0.53) DRD2DRD3CCR2
SCHEMBL8876410 0.85 CCR2 (0.53) DRD2DRD3CCR2
SCHEMBL9034053 0.84 CCR2 (0.45) DRD2DRD3CCR2
SCHEMBL8878754 0.83 DRD2 (0.51) DRD2DRD3CCR2
SCHEMBL8878342 0.83 CCR2 (0.54) DRD2DRD3CCR2

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-5670511-A Indolepiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-09-23 — — US disclosed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 — — EP disclosed
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