SCHEMBL7812482

SCHEMBL7812482

CN1CCC(c2cccc3ccc(OCc4ccc(-c5ccccc5)n4C)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.41
HTR1D P28221 4/20 0.41
HTR1B P28222 4/20 0.41
SLC6A4 P31645 2/20 0.41
DRD2 P14416 1/20 0.41
SLC6A9 P48067 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
DRD3 P35462 1/20 0.36
PRMT5 O14744 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
MTNR1A P48039 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL7810690 0.83 HTR1A (0.64) HTR1AHTR1DHTR1BDRD2SLC6A9
SCHEMBL7816032 0.82 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL7803605 0.80 HTR1A (0.40) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL7812335 0.80 HTR1A (0.40) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL1387863 0.80 RAB9A (0.53) MAPTTSHRTDP1
SCHEMBL8188389 0.80 HTR1A (0.39) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL7803556 0.79 SLC6A9 (0.40) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL7803546 0.76 HTR1A (0.42) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL9325324 0.75 MTNR1A (0.56) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL7813146 0.74 ALDH1A1 (0.39) HTR1AHTR1DHTR1BHRH3CD274

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