SCHEMBL8879169

SCHEMBL8879169

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

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 15/20 0.50
▸ DRD2 P14416 4/20 0.49
▸ DRD4 P21917 1/20 0.49
▸ HTR2A P28223 3/20 0.46
▸ DRD3 P35462 3/20 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
SCHEMBL8877860 0.91 DRD2 (0.57) CCR2DRD2DRD4HTR2ADRD3
SCHEMBL8877910 0.90 CCR2 (0.49) CCR2DRD2DRD4HTR2ADRD3
SCHEMBL8879189 0.88 CCR2 (0.49) CCR2DRD2DRD4HTR2ADRD3
SCHEMBL8878100 0.88 CCR2 (0.48) CCR2DRD2DRD4HTR2ADRD3
SCHEMBL8875703 0.88 CCR2 (0.46) CCR2DRD2HTR2ADRD3
SCHEMBL9034801 0.86 CCR2 (0.45) CCR2DRD2HTR2ADRD3
SCHEMBL8876932 0.86 ADRA1D (0.54) CCR2DRD2DRD4HTR2A
SCHEMBL8876714 0.86 CCR2 (0.50) CCR2DRD2HTR2ADRD3
SCHEMBL8878418 0.82 CCR2 (0.56) CCR2DRD2DRD4HTR2ADRD3
SCHEMBL8876701 0.82 CCR2 (0.56) CCR2DRD2DRD4HTR2ADRD3

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
Send feedback