SCHEMBL4731247

SCHEMBL4731247

NC(=O)C1CCN(CC2CCOCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ GBA1 P04062 2/20 0.41
▸ BCHE P06276 1/20 0.39
▸ TACR2 P21452 1/20 0.39
▸ GAA P10253 2/20 0.38
▸ LTA4H P09960 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ OPRM1 P35372 2/20 0.36
▸ KDM2B Q8NHM5 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL1438737 0.90 SMN1; SMN2 (0.53) SMN1; SMN2GBA1TACR2GAAKDM4E
SCHEMBL23855249 0.88 SMN1; SMN2 (0.53) SMN1; SMN2BCHEGAALTA4HKDM2B
SCHEMBL4730783 0.88 SMN1; SMN2 (0.53) SMN1; SMN2BCHEGAALTA4HKDM2B
SCHEMBL24003548 0.82 SMN1; SMN2 (0.47) SMN1; SMN2BCHEGAALTA4HKDM4E
SCHEMBL22359167 0.81 SMN1; SMN2 (0.46) SMN1; SMN2GBA1BCHEGAALTA4H
SCHEMBL22359168 0.79 SMN1; SMN2 (0.47) SMN1; SMN2BCHEGAALTA4HKDM4E
SCHEMBL4035398 0.77 SMN1; SMN2 (0.62) SMN1; SMN2GAAKDM4E
SCHEMBL31377131 0.76 GBA1 (0.49) GBA1TACR2OPRM1KDM2B
Hydrochloric Acid SCHEMBL27659724 0.75 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4E
SCHEMBL1794055 0.75 SMN1; SMN2 (0.44) SMN1; SMN2BCHEGAAKDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008045564-A2 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF THE CHEMOKINE CCR2 RECEPTOR EPIX DELAWARE, INC. (US) 2008-04-17 — — WO disclosed
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