SCHEMBL8744567

SCHEMBL8744567

COc1ccccc1N1CCN(CCNC(=O)c2cc(OCCBr)c3ccccc3c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.68
DRD2 P14416 9/20 0.68
ADRA2A P08913 6/20 0.68
DRD4 P21917 5/20 0.61
ADRA1A P35348 4/20 0.60
DRD3 P35462 4/20 0.60
DRD1 P21728 2/20 0.60
ADRA1D P25100 2/20 0.60
HTR2A P28223 2/20 0.60
HTR2C P28335 2/20 0.60
ADRA1B P35368 2/20 0.60
HTR2B P41595 2/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 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
SCHEMBL8744492 0.93 HTR1A (0.70) HTR1ADRD2ADRA2ADRD4ADRA1A
SCHEMBL8744556 0.86 DRD2 (0.68) HTR1ADRD2ADRA2ADRD4ADRA1A
SCHEMBL8744506 0.83 SLC6A4 (0.59) HTR1ADRD2ADRA2ADRD4DRD3
SCHEMBL8744494 0.80 DRD4 (0.53) HTR1ADRD2ADRA2ADRD4DRD3
SCHEMBL8744496 0.79 HTR1A (0.64) HTR1ADRD2ADRA2ADRD4ADRA1A
SCHEMBL7703066 0.79 DRD2 (0.85) HTR1ADRD2ADRA2ADRD4ADRA1A
SCHEMBL8744501 0.78 HTR1A (0.51) HTR1ADRD2ADRA2ADRD4ADRA1A
SCHEMBL7703331 0.78 DRD3 (0.87) HTR1ADRD2ADRA2ADRD4ADRA1A
SCHEMBL8744498 0.78 HTR1A (0.49) HTR1ADRD2ADRA2ADRD4ADRA1A
SCHEMBL10911336 0.76 DRD2 (1.00) HTR1ADRD2ADRA2ADRD4ADRA1A

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-0751939-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-01-08 EP claimed
EP-0751939-A1 NAPHTHYLAMIDES AS CENTRAL NERVOUS SYSTEM AGENTS WARNER-LAMBERT COMPANY (US) 1997-01-08 EP disclosed