SCHEMBL7812705

SCHEMBL7812705

CN1CCN(c2cccc3ccc(OCc4ccc5ccc(Cl)cc5n4)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.62
HTR1D P28221 10/20 0.62
HTR1B P28222 10/20 0.62
SLC6A9 P48067 1/20 0.61
KCNH2 Q12809 1/20 0.61
DRD2 P14416 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD3 P35462 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43

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
SCHEMBL6308697 0.90 HTR1A (0.67) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL8186003 0.87 HTR1A (0.66) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL6313105 0.83 HTR1A (0.70) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL6312484 0.82 HTR1A (0.69) HTR1AHTR1DHTR1BSLC6A9KCNH2
Hydrochloric Acid SCHEMBL7803554 0.82 SLC6A9 (0.59) HTR1AHTR1DHTR1BSLC6A9KCNH2
Hydrochloric Acid SCHEMBL7803553 0.81 SLC6A9 (0.59) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812189 0.81 KCNH2 (0.65) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7800756 0.81 KCNH2 (0.65) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7803791 0.80 HTR1A (0.69) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7816481 0.79 HTR1A (0.67) HTR1AHTR1DHTR1BSLC6A9KCNH2

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 7 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
EP-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 EP 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