SCHEMBL8878342

SCHEMBL8878342

COc1ccc2[nH]cc(C3CCN(CCCNC(=O)c4nccc5ccccc45)CC3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 4/20 0.54
▸ DRD2 P14416 6/20 0.54
▸ HTR1A P08908 6/20 0.54
▸ SLC6A4 P31645 6/20 0.54
▸ HTR7 P34969 4/20 0.54
▸ HTR6 P50406 4/20 0.54
▸ HTR2A P28223 3/20 0.54
▸ DRD3 P35462 1/20 0.53
▸ GSK3B P49841 1/20 0.52
▸ DRD4 P21917 1/20 0.49

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
SCHEMBL8878754 0.94 DRD2 (0.51) CCR2DRD2HTR1ASLC6A4HTR7
SCHEMBL8879735 0.90 CCR2 (0.48) CCR2DRD2HTR1ASLC6A4HTR7
SCHEMBL8876410 0.90 CCR2 (0.53) CCR2DRD2DRD3
SCHEMBL8878088 0.88 CCR2 (0.56) CCR2DRD2HTR1AHTR7HTR6
SCHEMBL8879246 0.86 CCR2 (0.54) CCR2DRD2HTR1AHTR6DRD3
SCHEMBL8878677 0.86 CCR2 (0.54) CCR2DRD2HTR1ASLC6A4HTR7
SCHEMBL8877646 0.86 CCR2 (0.53) CCR2DRD2DRD3DRD4
SCHEMBL8877686 0.84 CCR2 (0.56) CCR2DRD2DRD3
SCHEMBL8877298 0.84 ADRA1D (0.54) CCR2DRD2SLC6A4HTR7HTR2A
SCHEMBL8879724 0.84 CCR2 (0.56) CCR2DRD2HTR1ASLC6A4HTR7

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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