SCHEMBL27675677

SCHEMBL27675677

Nc1ccc(COC(=O)N2CCNCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TPSAB1 Q15661 3/20 0.45
TPSD1 Q9BZJ3 3/20 0.45
TPSG1 Q9NRR2 3/20 0.45
PRSS1 P07477 2/20 0.44
SLC29A1 Q99808 1/20 0.43
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
GRIN2B Q13224 4/20 0.40
PARP1 P09874 2/20 0.40
HTR2C P28335 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL27694192 0.88 MEN1 (0.50) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL17542431 0.86 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL12735949 0.85 SMN1; SMN2 (0.49) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL4678826 0.85 GRIN2B (0.52) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL148277 0.85 SCN5A (0.50) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL543032 0.85 KMT2A (0.48) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL542683 0.85 MEN1 (0.58) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL542709 0.85 GRIN2B (0.52) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL3889285 0.84 MEN1 (0.66) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1
SCHEMBL17272 0.84 MEN1 (0.66) SMN1; SMN2CYP2C19MEN1KMT2ANPSR1

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-102532162-B 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMA CO LTD 2015-05-27 CN disclosed
CN-100366624-C 2, 3-dihydro-6-nitroimidazo [2,1-b ] * azole compounds OTSUKA PHARMA CO LTD (JP) 2008-02-06 CN disclosed