SCHEMBL9034053

SCHEMBL9034053

COC(=O)c1cccc2[nH]cc(C3CCN(CCCNC(=O)c4ccnc5c(OC)cccc45)CC3)c12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 11/20 0.45
▸ DRD3 P35462 3/20 0.45
▸ HTR1A P08908 3/20 0.43
▸ HTR1B P28222 1/20 0.43
▸ HTR1F P30939 1/20 0.43
▸ HTR2A P28223 2/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ DRD2 P14416 2/20 0.41

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
SCHEMBL9035662 0.91 CCR2 (0.48) CCR2DRD3DRD2
SCHEMBL9034801 0.91 CCR2 (0.45) CCR2DRD3HTR1AHTR1BHTR2A
SCHEMBL9034436 0.89 CCR2 (0.44) CCR2DRD3HTR1AHTR1BHTR1F
SCHEMBL9035018 0.89 CCR2 (0.44) CCR2DRD3HTR1AHTR1BHTR1F
SCHEMBL8878100 0.89 CCR2 (0.48) CCR2DRD3HTR2ADRD2
SCHEMBL9035493 0.88 CCR2 (0.49) CCR2DRD3HTR1AHTR1BHTR2A
SCHEMBL9035293 0.87 CCR2 (0.49) CCR2HTR1BDRD2
SCHEMBL9034903 0.86 CCR2 (0.53) CCR2DRD3HTR1AHTR2AHTR2C
SCHEMBL8878699 0.86 CCR2 (0.46) CCR2DRD3HTR1AHTR2AHTR2C
SCHEMBL9034812 0.85 CCR2 (0.50) CCR2HTR1BDRD2

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
Send feedback