SCHEMBL17501200

SCHEMBL17501200

C[C@@H]1COC[C@H](C)N1N1[C@H](C)COC[C@@H]1C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
NSD2 O96028 1/20 0.31
G6PD P11413 1/20 0.31
CCR6 P51684 1/20 0.31

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
SCHEMBL17501013 1.00 CA12 (0.33) CA12CA1CA2CA9NSD2
SCHEMBL18800971 0.76
SCHEMBL7920688 0.76
SCHEMBL7920451 0.76
SCHEMBL7350450 0.76
SCHEMBL13014866 0.76
SCHEMBL24812343 0.73
SCHEMBL22855187 0.73
SCHEMBL20796112 0.73
SCHEMBL21393787 0.73

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-3177619-A1 2-(MORPHOLIN-4-YL)-1,7-NAPHTHYRIDINES Bayer Pharma Aktiengesellschaft (DE) 2017-06-14 EP disclosed
WO-2016020320-A1 2-(MORPHOLIN-4-YL)-L,7-NAPHTHYRIDINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-02-11 WO disclosed