SCHEMBL8877234

SCHEMBL8877234

COC(=O)c1ccc2[nH]cc(C3CCN(CCCN)CC3)c2c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 12/20 0.57
▸ HTR1B P28222 9/20 0.56
▸ DRD2 P14416 2/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ SLC6A4 P31645 3/20 0.55
▸ HTR1A P08908 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ HTR6 P50406 1/20 0.50
▸ CCR2 P41597 1/20 0.50

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
SCHEMBL8879616 0.92 SLC6A4 (0.55) HTR1DHTR1BDRD2CHRM2SLC6A4
SCHEMBL8870158 0.88 HTR7 (0.55) HTR1DHTR1BDRD2CHRM2HTR1A
SCHEMBL8871803 0.87 HTR1A (0.58) HTR1DHTR1BDRD2CHRM2SLC6A4
SCHEMBL8556222 0.86 HTR7 (0.62) HTR1DHTR1BDRD2CHRM2HTR1A
SCHEMBL8553950 0.85 ADRA2A (0.61) HTR1AHTR7
SCHEMBL27431034 0.84 HTR1A (0.57) HTR1DHTR1BDRD2CHRM2HTR1A
SCHEMBL8871079 0.84 HTR1A (0.63) DRD2SLC6A4HTR1AHTR2AHTR7
SCHEMBL8554898 0.84 HTR1A (0.63) DRD2SLC6A4HTR1AHTR2AHTR7
SCHEMBL8553791 0.83 HTR1A (0.59) DRD2SLC6A4HTR1AHTR2AHTR7
SCHEMBL8555534 0.82 HTR1A (0.59) HTR1ACCR2

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 3 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
CN-1133840-A Indolepiperidine derivatives MERCK PATENT GMBH (DE) 1996-10-23 — — CN disclosed
EP-0722942-A1 Indole piperidine derivatives MERCK PATENT GmbH (DE) 1996-07-24 — — EP disclosed
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