SCHEMBL9035452

SCHEMBL9035452

O=C(NCCCN1CCC(c2c[nH]c3cc(C(F)(F)F)ccc23)CC1)c1nccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 15/20 0.54
▸ DRD2 P14416 3/20 0.47
▸ HTR1A P08908 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ DRD3 P35462 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
SCHEMBL8877298 0.90 ADRA1D (0.54) CCR2DRD2HTR2AKCNH2DRD3
SCHEMBL8877686 0.88 CCR2 (0.56) CCR2DRD2DRD3
SCHEMBL8878623 0.86 CCR2 (0.54) CCR2DRD2DRD3
SCHEMBL8879134 0.86 CCR2 (0.54) CCR2DRD2HTR1AHTR2AKCNH2
SCHEMBL8878754 0.86 DRD2 (0.51) CCR2DRD2HTR1AHTR2ADRD3
SCHEMBL8877646 0.86 CCR2 (0.53) CCR2DRD2DRD3
SCHEMBL8877197 0.85 CCR2 (0.49) CCR2DRD2HTR1AHTR2ADRD3
SCHEMBL8879735 0.84 CCR2 (0.48) CCR2DRD2HTR1AHTR2ADRD3
SCHEMBL8878088 0.84 CCR2 (0.56) CCR2DRD2HTR1AHTR2ADRD3
SCHEMBL8876714 0.82 CCR2 (0.50) CCR2DRD2HTR1AHTR2ADRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 — — EP disclosed
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