SCHEMBL8554164

SCHEMBL8554164

Fc1ccc2[nH]cc(CCCCN3CC=C(c4c[nH]c5ccc(F)cc45)CC3)c2c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.69
HTR1A P08908 5/20 0.69
SLC6A4 P31645 2/20 0.69
DRD4 P21917 2/20 0.69
DRD3 P35462 2/20 0.69
HTR2A P28223 1/20 0.69
HTR2C P28335 1/20 0.69
HTR7 P34969 1/20 0.69
HTR2B P41595 1/20 0.69
HTR6 P50406 1/20 0.69
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
MAPT P10636 1/20 0.62
CYP2C9 P11712 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MPO P05164 1/20 0.60

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
SCHEMBL790948 0.87 DRD2 (0.72) DRD2HTR1ASLC6A4DRD4DRD3
SCHEMBL8870806 0.87 HTR1A (0.59) DRD2HTR1ASLC6A4DRD4DRD3
SCHEMBL791945 0.86 DRD2 (0.70) DRD2HTR1ASLC6A4DRD4DRD3
SCHEMBL9229535 0.85 SLC6A4 (0.64) DRD2HTR1ASLC6A4DRD4DRD3
SCHEMBL8553783 0.85 HTR1A (0.81) DRD2HTR1ASLC6A4HTR2A
SCHEMBL10577566 0.84 HTR1A (0.61) DRD2HTR1ASLC6A4DRD4DRD3
SCHEMBL15064476 0.84 SLC6A4 (0.69) DRD2HTR1ASLC6A4DRD4DRD3
SCHEMBL7136564 0.83 DRD2 (0.67) DRD2HTR1ASLC6A4DRD4DRD3
SCHEMBL8555542 0.83 TDP1 (0.71) DRD2HTR1ADRD4DRD3CYP1A2
SCHEMBL8556346 0.83 SIGMAR1 (0.74) DRD2HTR1ASLC6A4DRD4DRD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683166-B1 3-Indolylpiperidines MERCK PATENT GMBH (DE) 1998-10-28 EP disclosed
EP-0683166-A1 3-Indolylpiperidines MERCK PATENT GmbH (DE) 1995-11-22 EP disclosed