SCHEMBL4858606

SCHEMBL4858606

C=CCc1cc(-c2cccc(-c3ccccc3N)n2)c(OC)cc1OCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 7/20 0.47
▸ NOS1 P29475 7/20 0.47
▸ NOS2 P35228 6/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MCHR1 Q99705 6/20 0.43
▸ POLB P06746 1/20 0.42
▸ HTR2C P28335 2/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ ATM Q13315 1/20 0.40

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
SCHEMBL221161 0.90 NOS1 (0.57) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL4858610 0.83 MCHR1 (0.44) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL27981558 0.81 KDM4E (0.44) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL7080400 0.79 NOS1 (0.68) NOS3NOS1NOS2MCHR1POLB
SCHEMBL5572479 0.76 NOS1 (0.56) NOS3NOS1NOS2ALDH1A1
SCHEMBL4858622 0.76 KDM4E (0.43) KDM4EALDH1A1MCHR1POLBHTR2C
SCHEMBL252141 0.72 NOS1 (0.79) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL4014224 0.71 NOS1 (0.50) NOS3NOS1NOS2
SCHEMBL221914 0.70 NOS3 (0.63) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL421876 0.69 NOS1 (0.57) NOS3NOS1NOS2MCHR1

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-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 — — EP disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 — — WO disclosed
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