SCHEMBL4630504

SCHEMBL4630504

CN(C)CC(=O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.38
BPTF Q12830 1/20 0.38

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
SCHEMBL7466514 0.98 KMT2A (0.48) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL791911 0.98 KMT2A (0.48) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL11948185 0.95 ATM (0.44) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL24734308 0.84 KMT2A (0.42) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL15473922 0.84 KMT2A (0.49) L3MBTL1KMT2ATDP1KDM4EHTT
SCHEMBL792228 0.84 KMT2A (0.48) ATML3MBTL1KMT2AMEN1TDP1
SCHEMBL20458954 0.82 CA2 (0.46) ATML3MBTL1KMT2AKDM4EGAA
SCHEMBL4329453 0.82 KDM4E (0.45) KMT2AMEN1TDP1ALDH1A1SMN1; SMN2
SCHEMBL4249 0.82 KDM4E (0.41) ATMKMT2AMEN1TDP1ALDH1A1
SCHEMBL12259084 0.82 HTR1A (0.53) KMT2ATDP1ALDH1A1SMN1; SMN2KDM4E

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 7 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-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
WO-2011082077-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-07 WO disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed