SCHEMBL8879489

SCHEMBL8879489

N#Cc1cccc2[nH]cc(C3CCNCC3)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.54
ADRB2 P07550 1/20 0.54
SLC6A4 P31645 3/20 0.52
APP P05067 3/20 0.44
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39

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
SCHEMBL31049364 0.79 SLC6A4 (0.47) HTR2CADRB2SLC6A4IMPDH2IMPDH1
SCHEMBL4670703 0.78 HTR2C (0.58) HTR2CADRB2SLC6A4APPHTR6
SCHEMBL5387687 0.78 SLC6A4 (0.59) HTR2CADRB2SLC6A4APPHTR6
SCHEMBL26965710 0.78 HTR2C (0.58) HTR2CADRB2SLC6A4APP
SCHEMBL8876262 0.76 SLC6A4 (0.57) SLC6A4
SCHEMBL1513147 0.75 HTR2C (0.55) HTR2CADRB2SLC6A4IKBKB
SCHEMBL8554103 0.74 HTR2C (0.60) HTR2CADRB2SLC6A4HTR6
SCHEMBL8875495 0.74 HTR2C (0.59) HTR2CADRB2SLC6A4APPHTR6
Oxalic Acid SCHEMBL7870865 0.74 SLC6A4 (0.47) SLC6A4HTR6NOS3NOS1
Hydrochloric Acid SCHEMBL4739383 0.73 HTR2C (0.56) HTR2CADRB2SLC6A4GABRA1GABRB2

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