SCHEMBL8877298

SCHEMBL8877298

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 3/20 0.54
▸ ADRA1B P35368 1/20 0.53
▸ CCR2 P41597 8/20 0.52
▸ DRD2 P14416 5/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ HTR2A P28223 2/20 0.49
▸ HTR7 P34969 2/20 0.49
▸ KCNH2 Q12809 2/20 0.49
▸ DRD3 P35462 1/20 0.48
▸ HTR1D P28221 4/20 0.47
▸ HTR1B P28222 3/20 0.47
▸ CHRM2 P08172 1/20 0.47

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
SCHEMBL8877686 0.91 CCR2 (0.56) CCR2DRD2DRD3
SCHEMBL9035452 0.90 CCR2 (0.54) CCR2DRD2HTR2AKCNH2DRD3
SCHEMBL8878623 0.88 CCR2 (0.54) CCR2DRD2DRD3
SCHEMBL8878754 0.88 DRD2 (0.51) CCR2DRD2SLC6A4HTR2AHTR7
SCHEMBL8877646 0.88 CCR2 (0.53) CCR2DRD2DRD3
SCHEMBL8878088 0.86 CCR2 (0.56) CCR2DRD2HTR2AHTR7DRD3
SCHEMBL8876714 0.86 CCR2 (0.50) CCR2DRD2HTR2ADRD3
SCHEMBL8876932 0.86 ADRA1D (0.54) ADRA1DADRA1BCCR2DRD2SLC6A4
SCHEMBL8879246 0.84 CCR2 (0.54) CCR2DRD2KCNH2DRD3
SCHEMBL8878342 0.84 CCR2 (0.54) CCR2DRD2SLC6A4HTR2AHTR7

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