SCHEMBL8877860

SCHEMBL8877860

O=C(NCCCN1CCC(c2c[nH]c3cccc(Cl)c23)CC1)c1ccnc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 5/20 0.57
▸ DRD4 P21917 2/20 0.57
▸ CCR2 P41597 14/20 0.54
▸ HTR2A P28223 3/20 0.46
▸ DRD3 P35462 3/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ HTR2C P28335 1/20 0.46
▸ HTR2B P41595 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
SCHEMBL8879169 0.91 CCR2 (0.50) DRD2DRD4CCR2HTR2ADRD3
SCHEMBL8877910 0.88 CCR2 (0.49) DRD2DRD4CCR2HTR2ADRD3
SCHEMBL8879189 0.88 CCR2 (0.49) DRD2DRD4CCR2HTR2ADRD3
SCHEMBL8878100 0.88 CCR2 (0.48) DRD2DRD4CCR2HTR2ADRD3
SCHEMBL8877851 0.88 CCR2 (0.51) DRD2DRD4CCR2HTR2ADRD3
SCHEMBL9035662 0.86 CCR2 (0.48) DRD2DRD4CCR2DRD3
SCHEMBL8878418 0.86 CCR2 (0.56) DRD2DRD4CCR2HTR2ADRD3
SCHEMBL8876701 0.86 CCR2 (0.56) DRD2DRD4CCR2HTR2ADRD3
SCHEMBL8878650 0.86 CCR2 (0.54) DRD2CCR2DRD3
SCHEMBL8876932 0.82 ADRA1D (0.54) DRD2DRD4CCR2HTR2A

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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