SCHEMBL28151845

SCHEMBL28151845

CCCCCCc1cccc(CCCCNC)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.61
▸ LPL P06858 2/20 0.54
▸ LIPG Q9Y5X9 2/20 0.54
▸ EPHX1 P07099 1/20 0.54
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ TAAR1 Q96RJ0 3/20 0.51
▸ S1PR2 O95136 1/20 0.49
▸ S1PR1 P21453 1/20 0.49
▸ S1PR3 Q99500 1/20 0.49
▸ NOS3 P29474 1/20 0.47
▸ NOS1 P29475 1/20 0.47

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
SCHEMBL28313957 0.96 SIGMAR1 (0.59) SIGMAR1L3MBTL1LPLLIPGEPHX1
SCHEMBL6932623 0.87 LPL (0.67) LPLLIPG
SCHEMBL27683349 0.87 LPL (0.67) LPLLIPG
SCHEMBL11746219 0.87 LPL (0.67) LPLLIPG
SCHEMBL10518886 0.87 LPL (0.67) LPLLIPG
SCHEMBL5249436 0.87 LPL (0.67) LPLLIPG
SCHEMBL4032533 0.87 LPL (0.67) LPLLIPG
SCHEMBL29742685 0.87 LPL (0.67) LPLLIPG
SCHEMBL8563196 0.87 LPL (0.67) LPLLIPG
SCHEMBL4211261 0.87 LPL (0.67) LPLLIPG

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
CN-106715414-B With 2 adrenaline excitant of β and the active new bicyclic derivatives of M3 muscarinic antagonist 阿尔米雷尔有限公司 2019-08-30 — — CN disclosed
CN-106715414-A New bicyclic derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activities 阿尔米雷尔有限公司 2017-05-24 — — CN disclosed
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