SCHEMBL7813263

SCHEMBL7813263

CN1CCC(c2cccc3ccc(OCc4csc(-c5ccc(Cl)cc5)c4)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.45
KCNH2 Q12809 1/20 0.45
OPRL1 P41146 1/20 0.38
HTR1A P08908 2/20 0.38
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
SLC6A4 P31645 4/20 0.38
DRD2 P14416 2/20 0.38
NPY1R P25929 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PRMT5 O14744 2/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HTR6 P50406 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL7812335 0.92 HTR1A (0.40) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7813010 0.83 KCNH2 (0.64) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7812186 0.82 SLC6A9 (0.47) SLC6A9KCNH2OPRL1HTR1AHTR1D
SCHEMBL7803889 0.78 SLC6A9 (0.45) SLC6A9KCNH2OPRL1HTR1AHTR1D
SCHEMBL7803605 0.77 HTR1A (0.40) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL27372901 0.77 SLC6A9 (0.44) SLC6A9KCNH2OPRL1HTR1AHTR1D
SCHEMBL7812976 0.76 CA12 (0.46) SLC6A9KCNH2
SCHEMBL27371802 0.74 HTR1A (0.41) HTR1AHTR1DHTR1BSLC6A4DRD2
SCHEMBL7810187 0.74 HTR1A (0.62) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7803546 0.74 HTR1A (0.42) SLC6A9KCNH2HTR1AHTR1DHTR1B

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 4 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
US-6166020-A Aryl and heteroaryl alkoxynaphthalene derivatives PFIZER INC. (US) 2000-12-26 US 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