SCHEMBL29092005

SCHEMBL29092005

C[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.43
MAP4K4 O95819 1/20 0.40
GPR119 Q8TDV5 2/20 0.38
NR1H2 P55055 1/20 0.37
HDAC1 Q13547 1/20 0.36
TSHR P16473 1/20 0.36
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SPR P35270 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL27031090 1.00 SETD7 (0.43) SETD7MAP4K4GPR119NR1H2HDAC1
SCHEMBL10196598 0.94 SETD7 (0.46) SETD7MAP4K4GPR119NR1H2HDAC1
SCHEMBL6912374 0.94 SETD7 (0.46) SETD7MAP4K4GPR119NR1H2HDAC1
SCHEMBL10196611 0.94 SETD7 (0.46) SETD7MAP4K4GPR119NR1H2HDAC1
SCHEMBL29092021 0.82 NR1H3 (0.49) NR1H2USP2SMN1; SMN2
SCHEMBL29092059 0.81 SETD7 (0.39) SETD7MAP4K4GPR119NR1H2HDAC1
SCHEMBL29092034 0.81 PARP1 (0.42) NR1H2SMN1; SMN2
SCHEMBL27031154 0.80 TSHR (0.44) SETD7MAP4K4GPR119NR1H2HDAC1
SCHEMBL27034402 0.78 SETD7 (0.41) SETD7MAP4K4GPR119NR1H2HDAC1
SCHEMBL26544023 0.78 SETD7 (0.41) SETD7MAP4K4GPR119NR1H2HDAC1

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
CN-116940571-A Benzisoxazole derivative and use thereof 诺华股份有限公司 2023-10-24 CN disclosed
CN-116802182-A Pyrazolopyridine derivatives and uses thereof 诺华股份有限公司 2023-09-22 CN disclosed