SCHEMBL7803791

SCHEMBL7803791

CN1CCN(c2cccc3ccc(OCc4ccccn4)cc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.69
HTR1D P28221 10/20 0.69
HTR1B P28222 10/20 0.69
KCNH2 Q12809 2/20 0.56
SLC6A9 P48067 1/20 0.56
HRH4 Q9H3N8 1/20 0.52
DRD2 P14416 2/20 0.45
HTR2A P28223 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
PRKDC P78527 1/20 0.44

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
SCHEMBL7812619 0.89 HTR1A (0.73) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL6308697 0.86 HTR1A (0.67) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7803798 0.85 HTR1A (0.64) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7810713 0.84 HTR1A (0.62) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL6312894 0.84 HTR1A (0.75) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7816481 0.83 HTR1A (0.67) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL8186008 0.83 HTR1A (0.61) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL7812501 0.83 HTR1A (0.66) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL8186003 0.83 HTR1A (0.66) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL27371183 0.82 HTR1A (0.65) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
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