SCHEMBL18909447

SCHEMBL18909447

CCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 2/20 0.64
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 2/20 0.49
RAB9A P51151 1/20 0.49
CBX7 O95931 1/20 0.45
CDYL2 Q8N8U2 1/20 0.45
CDYL Q9Y232 1/20 0.45
CDY1; CDY1B Q9Y6F8 1/20 0.45
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ACHE P22303 4/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL21281275 0.87 KDM4E (0.65) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL18909232 0.87 KDM4E (0.51) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL24521437 0.85 KDM4E (0.60) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL22030086 0.85 KDM4E (0.60) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL18909099 0.85 HRH3 (0.47) KDM4EALDH1A1LMNAACHEL3MBTL3
SCHEMBL17547266 0.85 TSHR (0.72) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL18909245 0.81 L3MBTL3 (0.54) KDM4EALDH1A1TSHRLMNACBX7
SCHEMBL3774303 0.81 ALDH1A1 (0.76) KDM4EALDH1A1ALOX15TSHRHSD17B10
SCHEMBL18909114 0.81 HRH3 (0.51) KDM4EALDH1A1
SCHEMBL13005054 0.80 ALDH1A1 (0.71) KDM4EALDH1A1ALOX15TSHRHSD17B10

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