SCHEMBL21796112

SCHEMBL21796112

CC(C)(N)C(=O)OC1CCC(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.35
APOBEC3A P31941 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
ATM Q13315 1/20 0.32
MAPT P10636 2/20 0.32
CHRM3 P20309 7/20 0.31
SMYD3 Q9H7B4 1/20 0.31
NAAA Q02083 1/20 0.30
GAA P10253 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
SCHEMBL3345151 0.83 CYP19A1 (0.47) CYP19A1HTTSMN1; SMN2ATMCHRM3
SCHEMBL21103611 0.83 CYP19A1 (0.44) CYP19A1HTTSMN1; SMN2ATMCHRM3
Hydrochloric Acid SCHEMBL185528 0.82 CYP19A1 (0.46) CYP19A1HTTSMN1; SMN2ATMCHRM3
SCHEMBL4673661 0.82 CYP19A1 (0.50) CYP19A1HTTSMN1; SMN2CHRM3NAAA
Hydrochloric Acid SCHEMBL18954396 0.82 CYP19A1 (0.42) CYP19A1HTTSMN1; SMN2ATMCHRM3
Hydrochloric Acid SCHEMBL25251995 0.81 MAPT (0.46) CYP19A1APOBEC3AAPOBEC3GKDM4EHTT
Hydrochloric Acid SCHEMBL18954563 0.80 CYP19A1 (0.49) CYP19A1HTTSMN1; SMN2CHRM3NAAA
SCHEMBL21305857 0.78 KAT2B (0.36) CYP19A1SMN1; SMN2ATMCHRM3
Hydrochloric Acid SCHEMBL29006946 0.78 MAPT (0.35) CYP19A1APOBEC3AAPOBEC3GKDM4EHTT
SCHEMBL17911018 0.78 F2 (0.33) F2PRSS1PRSS2PRSS3ST14

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
EP-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 EP disclosed