SCHEMBL7812331

SCHEMBL7812331

CN1CCN(c2cccc3ccc(OCc4cnc(-c5ccccc5)s4)cc23)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.60
HTR1D P28221 11/20 0.60
HTR1B P28222 11/20 0.60
SLC6A9 P48067 1/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
PRMT5 O14744 1/20 0.40
MTNR1B P49286 1/20 0.40
MAP4K1 Q92918 1/20 0.40

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
SCHEMBL6312451 0.92 SLC6A9 (0.67) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL27373445 0.83 MTNR1B (0.52) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7816290 0.83 HTR1A (0.58) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7816641 0.83 HTR1A (0.60) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812227 0.83 HTR1A (0.60) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7803565 0.82 HTR1A (0.62) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL6312894 0.82 HTR1A (0.75) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7803539 0.81 SLC6A9 (0.62) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7810187 0.80 HTR1A (0.62) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812175 0.80 HTR1A (0.59) 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