SCHEMBL1811370

SCHEMBL1811370

O=C(O)C=C(C(=O)O)c1nc2ccccc2n1-c1ccc(CN2CC[C@H](N3CCCCC3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.46
▸ MCHR1 Q99705 4/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ OGFRL1 Q5TC84 2/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 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
SCHEMBL1814978 0.87 MCHR1 (0.43) HRH3MCHR1KCNH2
SCHEMBL1809300 0.79 HRH3 (0.62) HRH3KCNH2
SCHEMBL1813464 0.78 HRH3 (0.63) HRH3KCNH2
Fumaric Acid SCHEMBL1811369 0.76 HRH3 (0.52) HRH3
SCHEMBL1814415 0.71 HRH3 (0.52) HRH3
SCHEMBL4278988 0.70 DRD2 (0.55) —
SCHEMBL2322360 0.70 DRD2 (0.55) —
SCHEMBL6584141 0.70 DRD2 (0.55) —
SCHEMBL1816405 0.70 HRH3 (0.53) HRH3
SCHEMBL1810499 0.69 HRH3 (0.47) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935719-B2 N-substituted-azacyclylamines as histamine-3 antagonists WYETH LLC (US) 2011-05-03 — — US disclosed
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