SCHEMBL28044595

SCHEMBL28044595

CC(C)(C)OC(=O)N1CC2Cc3n[nH]c(C(F)(F)F)c3C2C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
LIPE Q05469 2/20 0.40
RORC P51449 1/20 0.39
JAK1 P23458 2/20 0.36
USP30 Q70CQ3 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
TACR1 P25103 2/20 0.35
PDE4B Q07343 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
JAK2 O60674 1/20 0.32
KDM4E B2RXH2 1/20 0.32
FPR3 P25089 1/20 0.32
FPR2 P25090 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
SCHEMBL28044588 0.73 NR1H2 (0.44) NR1H2LIPERORCJAK1USP30
SCHEMBL23794846 0.70 PARP1 (0.44) NR1H2KDM4E
SCHEMBL5938643 0.70 NR1H2 (0.54) NR1H2LIPERORCUSP30DDB1
SCHEMBL5940329 0.70 NR1H2 (0.54) NR1H2LIPERORCUSP30DDB1
SCHEMBL28044510 0.66 USP30 (0.42) NR1H2LIPERORCJAK1USP30
SCHEMBL15634408 0.66 NR1H2 (0.51) NR1H2LIPERORCUSP30DDB1
SCHEMBL2355843 0.65 NR1H2 (0.49) NR1H2LIPERORCUSP30DDB1
SCHEMBL19272699 0.65 NR1H2 (0.49) NR1H2LIPERORCUSP30DDB1
SCHEMBL15012086 0.65 NR1H2 (0.49) NR1H2LIPERORCUSP30DDB1
SCHEMBL19456156 0.65 NR1H2 (0.74) NR1H2JAK1DDB1CRBNGPR119

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
CN-105085530-A Fused tricyclic substituted amino six-membered ring derivative and application thereof in medicine SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-11-25 CN disclosed