SCHEMBL798154

SCHEMBL798154

O=C(c1cc(Cl)nc(Cl)c1)C1CNCCO1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.53
KCNH2 Q12809 4/20 0.53
TAAR1 Q96RJ0 4/20 0.53
SSTR4 P31391 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
SCHEMBL6937389 0.79 SSTR4 (0.43) SLC6A3KCNH2TAAR1SSTR4
SCHEMBL6940126 0.77
SCHEMBL23303999 0.76 CHRNB2 (0.42) SLC6A3KCNH2TAAR1SSTR4
SCHEMBL30392034 0.76 SLC6A3 (0.36) SLC6A3KCNH2TAAR1
SCHEMBL8292968 0.75 SSTR4 (0.45) SSTR4
SCHEMBL3742282 0.75 SSTR4 (0.45) SSTR4
SCHEMBL28595426 0.74 REN (0.53) SLC6A3KCNH2SSTR4
SCHEMBL17697621 0.74 SLC6A3 (0.43) SLC6A3KCNH2TAAR1SSTR4
Hydrochloric Acid SCHEMBL4031709 0.74 SSTR4 (0.44) SSTR4
SCHEMBL3787216 0.73 SSTR4 (0.38) SSTR4

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
WO-2012035055-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-22 WO disclosed
WO-2011110575-A1 DERIVATIVES OF 2-[2-(BENZO- OR PYRIDO-) THIAZOLYLAMINO]-6-AMINOPYRIDINE, USEFUL IN THE TREATMENT OF RESPIRATORIC, ALLERGIC OR INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2011-09-15 WO disclosed