SCHEMBL7812976

SCHEMBL7812976

CN1CCC(c2cccc3ccc(OCc4cn(-c5ccc(Cl)cc5)nn4)cc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 9/20 0.46
CA9 Q16790 9/20 0.46
PTGS2 P35354 2/20 0.44
RXRA P19793 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2B Q13224 2/20 0.44
P2RX7 Q99572 1/20 0.43
SLC6A9 P48067 1/20 0.42
KCNH2 Q12809 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 2/20 0.42

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
SCHEMBL7812186 0.81 SLC6A9 (0.47) SLC6A9KCNH2
SCHEMBL7803889 0.81 SLC6A9 (0.45) SLC6A9KCNH2
SCHEMBL27372901 0.79 SLC6A9 (0.44) SLC6A9KCNH2
SCHEMBL7813263 0.76 SLC6A9 (0.45) SLC6A9KCNH2
SCHEMBL7812767 0.75 HTR1A (0.61) CA12CA9SLC6A9KCNH2CA1
SCHEMBL7810698 0.75 DRD2 (0.39) SLC6A9KCNH2L3MBTL1
SCHEMBL7803714 0.74 SLC6A9 (0.43) GRIN1GRIN2BSLC6A9KCNH2
SCHEMBL8188389 0.73 HTR1A (0.39) SLC6A9KCNH2
SCHEMBL7812267 0.73 SLC6A9 (0.44) SLC6A9KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL27371802 0.72 HTR1A (0.41)

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