SCHEMBL8879616

SCHEMBL8879616

COC(=O)c1ccc2c(C3CCN(CCCN)CC3)c[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.55
▸ ADRA1D P25100 2/20 0.51
▸ HTR1D P28221 10/20 0.50
▸ DRD2 P14416 3/20 0.50
▸ HTR1B P28222 7/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CCR2 P41597 3/20 0.49
▸ HTR2A P28223 1/20 0.48
▸ HTR7 P34969 1/20 0.48
▸ KCNH2 Q12809 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
SCHEMBL8877234 0.92 HTR1D (0.57) SLC6A4HTR1DDRD2HTR1BCHRM2
SCHEMBL8877925 0.82 SLC6A4 (0.60) SLC6A4ADRA1DDRD2HTR2AHTR7
SCHEMBL8870158 0.80 HTR7 (0.55) HTR1DDRD2HTR1BCHRM2HTR7
SCHEMBL1173868 0.80 NPC1 (0.54) —
SCHEMBL8871803 0.80 HTR1A (0.58) SLC6A4ADRA1DHTR1DDRD2HTR1B
SCHEMBL51234 0.79 NPC1 (0.53) CCR2
SCHEMBL8555534 0.79 HTR1A (0.59) ADRA1DCCR2
SCHEMBL8556222 0.79 HTR7 (0.62) ADRA1DHTR1DDRD2HTR1BCHRM2
SCHEMBL8876794 0.79 SLC6A4 (0.64) SLC6A4ADRA1DDRD2
SCHEMBL8877539 0.79 ADRA1D (0.79) SLC6A4ADRA1DHTR1DDRD2HTR1B

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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