SCHEMBL6604353

SCHEMBL6604353

[c]1c(C2CCNC2)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HTR3A P46098 1/20 0.38
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNH2 Q12809 2/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL458139 0.81
SCHEMBL4721678 0.78 ALDH1A1 (0.30)
SCHEMBL4721538 0.78 CYP1B1 (0.32)
SCHEMBL3249937 0.76 CYP1B1 (0.34)
SCHEMBL4723295 0.74 DRD2 (0.41) SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL4719077 0.74 MAOB (0.39) KCNH2
SCHEMBL4582513 0.73 ICMT (0.30)
SCHEMBL4720692 0.73 CYP2D6 (0.32)
SCHEMBL75754 0.69 SLC18A3 (0.42) SLC18A3SIGMAR1HTR3AJAK3
SCHEMBL10126292 0.68 SLC6A2 (0.61) HTR3ASLC6A2SLC6A4SLC6A3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385842-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth (US) 2004-02-04 EP disclosed
WO-2002085892-A1 HETEROCYCLYLOXY-, -THIOXY- AND -AMINOBENZAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2002-10-31 WO disclosed