SCHEMBL7812942

SCHEMBL7812942

CN1CCN(c2cccc3ccc(OCc4nsc(-c5ccc(Cl)cc5)n4)cc23)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.69
KCNH2 Q12809 1/20 0.69
HTR1A P08908 14/20 0.57
HTR1D P28221 11/20 0.57
HTR1B P28222 11/20 0.57
HRH4 Q9H3N8 1/20 0.43
DRD2 P14416 3/20 0.43
HTR7 P34969 3/20 0.43
HTR6 P50406 3/20 0.43
OPRL1 P41146 1/20 0.39
HTR2A P28223 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 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
SCHEMBL7816641 0.92 HTR1A (0.60) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7800756 0.84 KCNH2 (0.65) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL6312451 0.84 SLC6A9 (0.67) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL6313105 0.83 HTR1A (0.70) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7813010 0.81 KCNH2 (0.64) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7812964 0.81 KCNH2 (0.46) SLC6A9KCNH2HTR1AHTR1DHTR1B
Hydrochloric Acid SCHEMBL7813281 0.80 SLC6A9 (0.96) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7816470 0.80 SLC6A9 (0.72) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7812215 0.80 KCNH2 (0.66) SLC6A9KCNH2HTR1AHTR1DHTR1B
SCHEMBL7812664 0.80 KCNH2 (0.64) 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