SCHEMBL9033156

SCHEMBL9033156

COc1cccc2c(C(=O)NCCCN3CCC(c4c[nH]c5cc(C(F)(F)F)ccc45)CC3)ccnc12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 7/20 0.50
▸ KCNH2 Q12809 1/20 0.49
▸ HTR1D P28221 9/20 0.44
▸ HTR1B P28222 7/20 0.43
▸ DRD2 P14416 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ HTR2A P28223 1/20 0.42

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
SCHEMBL9034447 0.92 ADRA1D (0.50) CCR2KCNH2HTR1DHTR1BDRD2
SCHEMBL9033599 0.90 CCR2 (0.47) CCR2DRD2HTR1AHTR2A
SCHEMBL9033135 0.90 CCR2 (0.49) CCR2
SCHEMBL9035293 0.89 CCR2 (0.49) CCR2HTR1DHTR1BDRD2CHRM2
SCHEMBL9036402 0.88 CCR2 (0.48) CCR2KCNH2HTR1BDRD2HTR1A
SCHEMBL9035279 0.87 CCR2 (0.46) CCR2HTR1DHTR1BDRD2CHRM2
SCHEMBL9034436 0.87 CCR2 (0.44) CCR2HTR1BDRD2HTR1AHTR2A
SCHEMBL9034903 0.87 CCR2 (0.53) CCR2DRD2HTR1AHTR2A
SCHEMBL8879134 0.86 CCR2 (0.54) CCR2KCNH2DRD2HTR1AHTR2A
SCHEMBL9034812 0.86 CCR2 (0.50) CCR2HTR1DHTR1BDRD2CHRM2

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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