SCHEMBL4738517

SCHEMBL4738517

CC(C)(C)OC(=O)c1ccn[c]c1N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
POLB P06746 1/20 0.34
GPR119 Q8TDV5 6/20 0.33
MAPK1 P28482 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
ADRB2 P07550 1/20 0.32
NCF1 P14598 1/20 0.32
PLD1 Q13393 1/20 0.32

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
SCHEMBL15415201 0.83 PLD1 (0.38) KDM4EMEN1KMT2AADRB2NCF1
SCHEMBL2649063 0.79 ADRA1A (0.37) ADRA1AADRA1BKDM4EMEN1KMT2A
SCHEMBL8915788 0.75 HTR2C (0.40)
SCHEMBL4826186 0.74 PRKCQ (0.41) ADRA1AADRA1BHRH4ADRB2NCF1
SCHEMBL8219392 0.73 ADRB1 (0.49) ADRA1AADRA1B
SCHEMBL30777649 0.73 ADRB1 (0.49) ADRA1AADRA1B
SCHEMBL15415762 0.72 ALDH1A1 (0.35) ADRA1AADRA1BKDM4EMEN1KMT2A
SCHEMBL8917894 0.72 HTR2C (0.38) ADRA1AADRA1BHRH4
SCHEMBL3545485 0.72 KDM4E (0.44) KDM4EMEN1KMT2A
SCHEMBL3764755 0.71 CKS1B (0.39) ADRA1AADRA1BKDM4EMEN1KMT2A

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-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO claimed
WO-2008072850-A1 TRIAZINE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST ACETYL-COA CARBOXYLASE AMOREPACIFIC CORPORATION (KR) 2008-06-19 WO disclosed