SCHEMBL7816650

SCHEMBL7816650

CN1CCN(c2cccc3ccc(OCc4nnc(-c5ccccc5)n4C)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 15/20 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
NPC1 O15118 1/20 0.42
DRD2 P14416 4/20 0.41
HTR2A P28223 4/20 0.41
HTR7 P34969 3/20 0.41
HTR6 P50406 3/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRA2A P08913 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
DRD1 P21728 2/20 0.41
DRD4 P21917 2/20 0.41
SLC6A2 P23975 2/20 0.41
HRH2 P25021 2/20 0.41
ADRA1D P25100 2/20 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
SCHEMBL7812738 0.89 HTR1A (0.66) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7812375 0.87 HTR1A (0.61) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7813250 0.87 HTR1A (0.61) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7816693 0.85 HTR1A (0.61) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7816032 0.83 HTR1A (0.41) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL6312894 0.82 HTR1A (0.75) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7813284 0.81 HTR1A (0.61) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL8192702 0.81 HTR1A (0.70) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7810690 0.81 HTR1A (0.64) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7803798 0.81 HTR1A (0.64) 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