SCHEMBL9035279

SCHEMBL9035279

COc1cccc2c(C(=O)NCCCN3CCC(c4c[nH]c5ccc(OC(F)(F)F)cc45)CC3)ccnc12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 5/20 0.46
▸ DRD2 P14416 7/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ HTR1D P28221 7/20 0.45
▸ HTR1B P28222 5/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR7 P34969 5/20 0.44
▸ HTR6 P50406 5/20 0.44
▸ HTR1A P08908 5/20 0.44
▸ SLC6A4 P31645 5/20 0.44
▸ HTR2A P28223 4/20 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
SCHEMBL9034903 0.93 CCR2 (0.53) CCR2DRD2DRD3HTR7HTR6
SCHEMBL9035493 0.89 CCR2 (0.49) CCR2DRD2DRD3HTR1DHTR1B
SCHEMBL8876765 0.88 CCR2 (0.51) CCR2DRD2HTR7HTR6HTR1A
SCHEMBL9033599 0.88 CCR2 (0.47) CCR2DRD2DRD3HTR7HTR6
SCHEMBL9034812 0.88 CCR2 (0.50) CCR2DRD2HTR1DHTR1BCHRM2
SCHEMBL8878336 0.88 CCR2 (0.48) CCR2DRD2DRD3HTR1DHTR1B
SCHEMBL9033156 0.87 CCR2 (0.50) CCR2DRD2HTR1DHTR1BCHRM2
SCHEMBL9034447 0.87 ADRA1D (0.50) CCR2DRD2HTR1DHTR1BCHRM2
SCHEMBL9035552 0.86 KCNH2 (0.49) CCR2DRD2DRD3HTR1DHTR1B
SCHEMBL9035293 0.85 CCR2 (0.49) CCR2DRD2HTR1DHTR1BCHRM2

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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