SCHEMBL21396312

SCHEMBL21396312

CC(C)(C)OC(=O)N1CCN(c2ccc(CNC(=O)C(F)(F)F)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ CYP2C19 P33261 1/20 0.68
▸ HTT P42858 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ MAPT P10636 3/20 0.66
▸ LMNA P02545 2/20 0.66
▸ ALDH1A1 P00352 1/20 0.54
▸ DDB1 Q16531 1/20 0.52
▸ CRBN Q96SW2 1/20 0.52
▸ NAMPT P43490 1/20 0.50
▸ GPR119 Q8TDV5 8/20 0.48
▸ PDK2 Q15119 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ ACHE P22303 1/20 0.47

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
SCHEMBL27980498 0.84 SMN1; SMN2 (0.68) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL26681993 0.82 SMN1; SMN2 (0.82) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL27179099 0.82 NAMPT (0.65) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL5573222 0.81 MAPT (0.76) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL19700727 0.81 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL1136833 0.80 MAPT (0.64) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL3807661 0.80 MAPT (0.64) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL13242366 0.79 SMN1; SMN2 (1.00) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL22591163 0.79 MEN1 (0.45) SMN1; SMN2MEN1KMT2ACYP2C19HTT
SCHEMBL20306312 0.79 MAPT (0.62) SMN1; SMN2MEN1KMT2ACYP2C19HTT

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-2019180686-A1 IDO-TDO DUAL INHIBITOR AND RELATED METHODS OF USE CMG PHARMACEUTICAL CO., LTD. (KR) 2019-09-26 — — WO disclosed
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