SCHEMBL13537622

SCHEMBL13537622

C[C@@H]1CN(c2ccc(C(C)(F)F)cc2/C=C2\SC(=O)NC2=O)C[C@H](C)N1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.47
▸ PIM1 P11309 8/20 0.46
▸ PIM2 Q9P1W9 8/20 0.46
▸ PIM3 Q86V86 6/20 0.42
▸ TTR P02766 2/20 0.41
▸ CISD1 Q9NZ45 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ PTPN1 P18031 4/20 0.40
▸ IGF1R P08069 1/20 0.40

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
SCHEMBL1580673 0.93 PIM1 (0.53) NR1H4PIM1PIM2PIM3TTR
SCHEMBL1580675 0.93 PIM1 (0.53) NR1H4PIM1PIM2PIM3TTR
SCHEMBL12281679 0.93 PIM1 (0.53) NR1H4PIM1PIM2PIM3TTR
Hydrochloric Acid SCHEMBL2423162 0.92 PIM1 (0.52) NR1H4PIM1PIM2PIM3TTR
Hydrochloric Acid SCHEMBL2423157 0.92 PIM1 (0.52) NR1H4PIM1PIM2PIM3TTR
Hydrochloric Acid SCHEMBL2423158 0.92 PIM1 (0.52) NR1H4PIM1PIM2PIM3TTR
SCHEMBL13537641 0.84 PIM1 (0.63) NR1H4PIM1PIM2PIM3TTR
SCHEMBL13537960 0.82 PIM2 (0.66) NR1H4PIM1PIM2PIM3
SCHEMBL13537962 0.78 GPR119 (0.49) NR1H4PIM1PIM2PIM3PTPN1
SCHEMBL12282336 0.75 PIM1 (0.65) NR1H4PIM1PIM2PIM3TTR

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-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — WO disclosed
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