SCHEMBL7813010

SCHEMBL7813010

CN1CCN(c2cccc3ccc(OCc4csc(-c5ccc(Cl)cc5)c4)cc23)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.64
SLC6A9 P48067 1/20 0.64
HTR1A P08908 13/20 0.59
HTR1D P28221 11/20 0.59
HTR1B P28222 11/20 0.59
HRH4 Q9H3N8 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
HTR6 P50406 1/20 0.38

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
SCHEMBL7810187 0.91 HTR1A (0.62) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL8179018 0.87 HTR1A (0.55) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL6313105 0.87 HTR1A (0.70) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL7800756 0.86 KCNH2 (0.65) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL7812215 0.85 KCNH2 (0.66) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL7813263 0.83 SLC6A9 (0.45) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL7812664 0.83 KCNH2 (0.64) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL7809209 0.82 HTR1A (0.64) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL6312484 0.82 HTR1A (0.69) KCNH2SLC6A9HTR1AHTR1DHTR1B
SCHEMBL6312451 0.81 SLC6A9 (0.67) KCNH2SLC6A9HTR1AHTR1DHTR1B

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