SCHEMBL8877646

SCHEMBL8877646

COC(=O)c1ccc2c(C3CCN(CCCNC(=O)c4nccc5ccccc45)CC3)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 14/20 0.53
▸ DRD2 P14416 2/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ EIF2AK2 P19525 1/20 0.44
▸ DRD4 P21917 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
SCHEMBL8876410 0.94 CCR2 (0.53) CCR2DRD2DRD3
SCHEMBL8878754 0.90 DRD2 (0.51) CCR2DRD2DRD3DRD4
SCHEMBL8877298 0.88 ADRA1D (0.54) CCR2DRD2DRD3
SCHEMBL8877686 0.88 CCR2 (0.56) CCR2DRD2DRD3
SCHEMBL8878411 0.87 CCR2 (0.53) CCR2DRD2DRD3KDM4EALDH1A1
SCHEMBL9035452 0.86 CCR2 (0.54) CCR2DRD2DRD3
SCHEMBL8878342 0.86 CCR2 (0.54) CCR2DRD2DRD3DRD4
SCHEMBL8878623 0.86 CCR2 (0.54) CCR2DRD2DRD3
SCHEMBL8878708 0.85 DRD2 (0.49) CCR2DRD2DRD3
SCHEMBL8878088 0.83 CCR2 (0.56) CCR2DRD2DRD3

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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