SCHEMBL8301752

SCHEMBL8301752

N#Cc1ccc2c(C3CCNC3)c[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.53
SLC6A4 P31645 10/20 0.51
APP P05067 4/20 0.51
HTR2C P28335 2/20 0.49
ADRB2 P07550 1/20 0.49
HTR2A P28223 2/20 0.48
HTR1A P08908 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1B P28222 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A3 Q01959 1/20 0.48
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 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
SCHEMBL8298760 0.92 HTR2C (0.59) IDO1SLC6A4APPHTR2CADRB2
SCHEMBL8304104 0.89 SLC6A4 (0.64) IDO1SLC6A4HTR2AHTR1ADRD1
SCHEMBL31295107 0.80 HTR2A (0.69) IDO1SLC6A4APPHTR2CADRB2
SCHEMBL5097763 0.80 HTR2A (0.69) IDO1SLC6A4APPHTR2CADRB2
SCHEMBL2270899 0.80 SLC6A4 (0.67) SLC6A4APPHTR2CADRB2HTR2A
SCHEMBL5097759 0.80 HTR2A (0.69) IDO1SLC6A4APPHTR2CADRB2
SCHEMBL28316012 0.80 SLC6A4 (0.56) IDO1SLC6A4APPHTR2CADRB2
SCHEMBL6637435 0.80 IDO1 (0.58) IDO1SLC6A4HTR2AHTR1ADRD1
Lithium Ion SCHEMBL31530810 0.78 HTR2A (0.66) IDO1SLC6A4APPHTR2CADRB2
SCHEMBL30279603 0.76 HTR2C (0.81) SLC6A4APPHTR2CADRB2HTR2A

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
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 CN disclosed
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed