SCHEMBL18909342

SCHEMBL18909342

CCN(C)CC(=O)N1CCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ATM Q13315 1/20 0.40
HTR1A P08908 1/20 0.38
PREP P48147 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PRMT3 O60678 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL14079949 0.86 HTR1A (0.55) KMT2ATDP1HTR1AALDH1A1SMN1; SMN2
SCHEMBL792228 0.83 KMT2A (0.48) L3MBTL1KMT2AMEN1TDP1ATM
SCHEMBL14079954 0.82 POLB (0.49) L3MBTL1ALDH1A1SMN1; SMN2TSHR
SCHEMBL20842266 0.82 HTR1A (0.39) KMT2AMEN1TDP1HTR1AALDH1A1
SCHEMBL792123 0.82 HSD11B1 (0.46) KMT2AMEN1HTR1AALDH1A1KDM4E
SCHEMBL18330458 0.81 ALDH1A1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2HPGD
SCHEMBL11948185 0.80 ATM (0.44) L3MBTL1KMT2AMEN1TDP1ATM
SCHEMBL19275358 0.80 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1TDP1ATM
SCHEMBL26551000 0.80 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1TDP1ATM
SCHEMBL20326370 0.78 GNAI3 (0.39) KMT2AMEN1PREPALDH1A1SMN1; SMN2

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
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