SCHEMBL7803546

SCHEMBL7803546

Cc1ccc(COc2ccc3cccc(C4CCN(C)CC4)c3c2)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.42
HTR1D P28221 5/20 0.42
HTR1B P28222 5/20 0.42
DRD2 P14416 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A9 P48067 1/20 0.37
KCNH2 Q12809 1/20 0.37
MTNR1A P48039 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
DRD3 P35462 1/20 0.35
HTR6 P50406 2/20 0.35
NPY1R P25929 1/20 0.35
PDE10A Q9Y233 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
METTL3 Q86U44 1/20 0.34

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
SCHEMBL7813079 0.81 HTR1A (0.67) HTR1AHTR1DHTR1BDRD2SLC6A9
SCHEMBL7803605 0.80 HTR1A (0.40) HTR1AHTR1DHTR1BDRD2SLC6A4
SCHEMBL27371802 0.78 HTR1A (0.41) HTR1AHTR1DHTR1BDRD2SLC6A4
SCHEMBL9325324 0.77 MTNR1A (0.56) HTR1AHTR1DHTR1BDRD2SLC6A4
SCHEMBL7812335 0.76 HTR1A (0.40) HTR1AHTR1DHTR1BDRD2SLC6A4
SCHEMBL7812482 0.76 HTR1A (0.41) HTR1AHTR1DHTR1BDRD2SLC6A4
SCHEMBL8187068 0.75 ALOX5AP (0.41) HTR1AHTR1DHTR1BDRD2SLC6A4
SCHEMBL1387863 0.75 RAB9A (0.53)
SCHEMBL7816032 0.75 HTR1A (0.41) HTR1AHTR1DHTR1BDRD2SLC6A4
SCHEMBL7803556 0.75 SLC6A9 (0.40) HTR1AHTR1DHTR1BDRD2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767782-B1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER (US) 2001-10-31 EP disclosed
US-6166020-A Aryl and heteroaryl alkoxynaphthalene derivatives PFIZER INC. (US) 2000-12-26 US disclosed
EP-0767782-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1997-04-16 EP disclosed
WO-1996000720-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-11 WO disclosed