SCHEMBL7364533

SCHEMBL7364533

CSc1ccc(CCN)cc1OC1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.46
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
NUDT1 P36639 1/20 0.43
BACE1 P56817 1/20 0.43
TAAR1 Q96RJ0 2/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
FPR2 P25090 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PDE4B Q07343 2/20 0.39
RECQL P46063 1/20 0.38
PDE4A P27815 1/20 0.37
CARM1 Q86X55 1/20 0.37
PRMT1 Q99873 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL9845122 0.82 CSNK2A1 (0.56) CSNK2A1KDM4EATMNUDT1BACE1
SCHEMBL9587342 0.81 CSNK2A1 (0.55) CSNK2A1KDM4EATMNUDT1BACE1
SCHEMBL21255817 0.80 KDM4E (0.66) CSNK2A1KDM4EATMTAAR1TSHR
SCHEMBL7353001 0.80 KDM4E (0.66) CSNK2A1KDM4EATMTAAR1TSHR
SCHEMBL20190365 0.80 CSNK2A1 (0.50) CSNK2A1KDM4EATMNUDT1BACE1
SCHEMBL9845095 0.79 CSNK2A1 (0.53) CSNK2A1KDM4EATMNUDT1BACE1
Hydrochloric Acid SCHEMBL7355268 0.79 KDM4E (0.64) CSNK2A1KDM4EATMTAAR1TSHR
SCHEMBL7366230 0.79 MEN1 (0.45) PDE4BRECQLPDE4AMEN1KMT2A
Hydrochloric Acid SCHEMBL20188074 0.78 CSNK2A1 (0.51) CSNK2A1KDM4EATMNUDT1BACE1
SCHEMBL9845094 0.76 KDM4E (0.53) CSNK2A1KDM4EATMNUDT1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538384-A4 OXAMIDES SMITHKLINE BEECHAM CORP (US) 1995-04-12 EP disclosed
US-5393788-A Phenylalkyl oxamides SMITHKLINE BEECHAM CORPORATION (US) 1995-02-28 US disclosed
EP-0538384-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1993-04-28 EP disclosed
WO-1992000968-A1 OXAMIDES SMITHKLINE BEECHAM CORPORATION (US) 1992-01-23 WO disclosed