SCHEMBL1910477

SCHEMBL1910477

C=C(OC(C)(C)C)N1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
HPGD P15428 1/20 0.34
CHKA P35790 1/20 0.33
MAPK1 P28482 1/20 0.33
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
PHGDH O43175 1/20 0.30

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
SCHEMBL22545587 0.82 GNAI3 (0.39)
SCHEMBL12204162 0.80 HPGD (0.41) CA2CA1HPGDUSP2SMN1; SMN2
SCHEMBL14138918 0.80 BIRC2 (0.34)
SCHEMBL13285226 0.78 DDB1 (0.40) HPGDMAPK1USP2SMN1; SMN2
SCHEMBL19416588 0.78 HPGD (0.43) CA2CA12CA1CA9HPGD
SCHEMBL30826958 0.78 USP2 (0.56) CA2CA12CA1CA9HPGD
SCHEMBL27694231 0.77 CA2 (0.38) CA2CA12CA1CA9HPGD
SCHEMBL12443993 0.77 CYP1A2 (0.38) HPGDUSP2SMN1; SMN2PHGDH
Formaldehyde SCHEMBL27601645 0.76 USP2 (0.55) CA2CA12CA1CA9HPGD
Formaldehyde SCHEMBL27870886 0.76 USP2 (0.55) CA2CA12CA1CA9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 EP disclosed
EP-2611420-B1 LIPIDS SUITABLE FOR LIPOSOMAL DELIVERY OF PROTEIN-CODING RNA GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2019-03-27 EP disclosed
WO-2012025155-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES NOVARTIS AG (CH) 2012-03-01 WO disclosed