SCHEMBL7812844

SCHEMBL7812844

CN1CCN(c2cccc3ccc(OCc4nc5ccccc5o4)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.62
HTR1D P28221 11/20 0.62
HTR1B P28222 11/20 0.62
KCNH2 Q12809 2/20 0.54
SLC6A9 P48067 1/20 0.54
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41

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
Hydrochloric Acid SCHEMBL7812191 0.88 HTR1A (0.57) HTR1AHTR1DHTR1BKCNH2SLC6A9
Hydrochloric Acid SCHEMBL7803554 0.88 SLC6A9 (0.59) HTR1AHTR1DHTR1BKCNH2SLC6A9
Hydrochloric Acid SCHEMBL7812674 0.88 HTR1A (0.57) HTR1AHTR1DHTR1BKCNH2SLC6A9
Hydrochloric Acid SCHEMBL7803553 0.87 SLC6A9 (0.59) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7812205 0.82 HTR1A (0.59) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL6308697 0.81 HTR1A (0.67) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7808617 0.80 HTR1A (0.62) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7803806 0.80 HTR1A (0.54) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL6312894 0.80 HTR1A (0.75) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7808550 0.78 HTR1A (0.60) HTR1AHTR1DHTR1BKCNH2SLC6A9

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 6 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
CN-1064350-C Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 2001-04-11 CN disclosed
US-6166020-A Aryl and heteroaryl alkoxynaphthalene derivatives PFIZER INC. (US) 2000-12-26 US disclosed
CN-1151729-A Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 1997-06-11 CN 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