SCHEMBL25425656

SCHEMBL25425656

CC(C)(C)C1CN(Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)CCN1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.40
LPL P06858 1/20 0.40
ACKR3 P25106 2/20 0.35
AGTR2 P50052 1/20 0.34
OPRM1 P35372 4/20 0.34
OPRK1 P41145 4/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ROCK1 Q13464 1/20 0.33
OPRD1 P41143 2/20 0.33

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
SCHEMBL3399142 0.87 LIPG (0.42) LIPGLPLOPRM1OPRK1MEN1
SCHEMBL3399375 0.87 LIPG (0.42) LIPGLPLOPRM1OPRK1MEN1
SCHEMBL1363050 0.87 LIPG (0.39) LIPGLPLAGTR2OPRM1OPRK1
SCHEMBL3045151 0.82 LIPG (0.47) LIPGLPLKDM4EALDH1A1MEN1
SCHEMBL31123835 0.81 F11 (0.35) LIPGLPLALDH1A1KMT2A
SCHEMBL3478584 0.81 NR1H2 (0.39) ROCK1
SCHEMBL8020161 0.80 USP30 (0.40) LIPGLPL
SCHEMBL1363047 0.80 USP30 (0.40) LIPGLPL
SCHEMBL3397755 0.80 LIPG (0.39) LIPGLPLALDH1A1MEN1KMT2A
SCHEMBL3773661 0.79 AGTR2 (0.50) AGTR2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023140629-A1 2,7-SUBSTITUTED PYRROLO[2,1-F][1,2,4]TRIAZINE COMPOUND HAVING PROTEIN KINASE INHIBITORY ACTIVITY 닥터아이앤비(주) 2023-07-27 WO disclosed