SCHEMBL8879141

SCHEMBL8879141

N#Cc1ccc2c(C3CCN(CCCN)CC3)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.60
▸ ADRA1D P25100 7/20 0.55
▸ DRD2 P14416 1/20 0.52
▸ CCR2 P41597 1/20 0.49
▸ ADRA1B P35368 1/20 0.48

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
SCHEMBL8878773 0.91 SLC6A4 (0.60) SLC6A4ADRA1D
SCHEMBL8876794 0.83 SLC6A4 (0.64) SLC6A4ADRA1DDRD2ADRA1B
SCHEMBL8877539 0.83 ADRA1D (0.79) SLC6A4ADRA1DDRD2ADRA1B
SCHEMBL8876449 0.80 SLC6A4 (0.60) SLC6A4ADRA1DDRD2CCR2ADRA1B
SCHEMBL8877925 0.80 SLC6A4 (0.60) SLC6A4ADRA1DDRD2
SCHEMBL5705230 0.80 SLC6A4 (0.90) SLC6A4ADRA1D
SCHEMBL7256770 0.80 ADRA1D (0.77) SLC6A4ADRA1DDRD2ADRA1B
Oxalic Acid SCHEMBL7867572 0.78 SLC6A4 (0.50) SLC6A4ADRA1DDRD2CCR2
SCHEMBL8557189 0.78 HTR6 (0.64) —
SCHEMBL8553986 0.78 HTR6 (0.64) —

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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