SCHEMBL8878336

SCHEMBL8878336

O=C(NCCCN1CCC(c2c[nH]c3ccc(OC(F)(F)F)cc23)CC1)c1ccnc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 9/20 0.48
▸ DRD2 P14416 3/20 0.45
▸ HTR2A P28223 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ PREP P48147 1/20 0.45
▸ DRD4 P21917 1/20 0.44
▸ HTR1D P28221 6/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HTR1B P28222 4/20 0.43
▸ CHRM2 P08172 1/20 0.43

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
SCHEMBL8876765 0.91 CCR2 (0.51) CCR2DRD2HTR2APREP
SCHEMBL8878677 0.90 CCR2 (0.54) CCR2DRD2HTR2ADRD3
SCHEMBL9035279 0.88 CCR2 (0.46) CCR2DRD2HTR2ADRD3HTR1D
SCHEMBL8879735 0.87 CCR2 (0.48) CCR2DRD2HTR2ADRD3HTR1D
SCHEMBL8877476 0.87 CCR2 (0.53) CCR2DRD2DRD3DRD4HTR1D
SCHEMBL8878418 0.86 CCR2 (0.56) CCR2DRD2HTR2ADRD3DRD4
SCHEMBL8879724 0.85 CCR2 (0.56) CCR2DRD2HTR2APREPKDM4E
SCHEMBL8879134 0.84 CCR2 (0.54) CCR2DRD2HTR2ADRD3DRD4
SCHEMBL8876575 0.84 CCR2 (0.50) CCR2DRD2HTR2ADRD3DRD4
SCHEMBL8876762 0.84 CCR2 (0.54) CCR2DRD2DRD3DRD4HTR1D

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
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