SCHEMBL7812175

SCHEMBL7812175

CN1CCN(c2cccc3ccc(OCc4cnnc(-c5ccccc5)c4)cc23)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.59
HTR1D P28221 10/20 0.59
HTR1B P28222 10/20 0.59
SLC6A9 P48067 1/20 0.52
KCNH2 Q12809 1/20 0.52
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
MAP4K1 Q92918 1/20 0.41
PRMT5 O14744 1/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7816024 0.86 HTR1A (0.64) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812272 0.86 HTR1A (0.60) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7810569 0.84 HTR1A (0.58) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL6312894 0.84 HTR1A (0.75) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7809051 0.83 HTR1A (0.61) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7803798 0.82 HTR1A (0.64) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL27461485 0.82 HTR1A (0.58) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL8176301 0.82 HTR1A (0.62) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812331 0.80 HTR1A (0.60) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7803539 0.80 SLC6A9 (0.62) 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 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