SCHEMBL18909244

SCHEMBL18909244

CCC(=O)N1CCC(N(C)CC(=O)N2CCCC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.49
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY5R Q15761 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL21281128 0.97 EPHX2 (0.49) EPHX2MEN1KMT2ASMN1; SMN2NPY5R
SCHEMBL19444608 0.86 KMT2A (0.47) EPHX2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL19444620 0.86 KMT2A (0.47) EPHX2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL24521422 0.86 CPN1 (0.40) EPHX2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL18909251 0.84 EPHX2 (0.45) EPHX2MEN1KMT2ASMN1; SMN2NPY5R
SCHEMBL30098883 0.84 LMNA (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1
SCHEMBL22030873 0.83 CYP3A4 (0.41) MEN1KMT2ASMN1; SMN2ATMALDH1A1
SCHEMBL24521472 0.83 KMT2A (0.40) EPHX2MEN1KMT2ASMN1; SMN2ATM
SCHEMBL24244796 0.83 CPN1 (0.40) EPHX2MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL16604741 0.82 ALDH1A1 (0.43) MEN1KMT2ASMN1; SMN2L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3596072-B1 PYRAZOLOCHLOROPHENYL COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-06-22 EP disclosed
EP-3416967-B1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2022-02-09 EP disclosed
EP-3380474-B1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF HOFFMANN LA ROCHE (CH) 2019-08-21 EP disclosed
WO-2017140825-A1 THERAPEUTIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-08-24 WO disclosed
WO-2017089390-A1 JANUS KINASES INHIBITORS, COMPOSITIONS THEREOF AND USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2017-06-01 WO disclosed