SCHEMBL17149554

SCHEMBL17149554

CN1CN(c2ccc(N)cc2)CCCN(C(=O)OC(C)(C)C)CCC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
GPR119 Q8TDV5 7/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PDK2 Q15119 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NAMPT P43490 1/20 0.39
CASP6 P55212 1/20 0.38
GFER P55789 1/20 0.38
ATR Q13535 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3194630 0.82 MAPT (0.61) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL25827214 0.82 GPR119 (0.56) NR1H2GPR119MAPTALDH1A1LMNA
SCHEMBL55667 0.77 MAPT (0.67) NR1H2GPR119MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL7371653 0.76 MAPT (0.65) NR1H2GPR119MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL4934215 0.76 MAPT (0.65) NR1H2GPR119MAPTALDH1A1LMNA
SCHEMBL24320204 0.73 GPR119 (0.48) GPR119MAPTALDH1A1LMNAMEN1
SCHEMBL3968708 0.73 USP2 (0.49) NR1H2GPR119MAPTALDH1A1LMNA
SCHEMBL21946732 0.72 MAPK1 (0.54) NR1H2GPR119MAPTALDH1A1LMNA
SCHEMBL10036433 0.72 GPR119 (0.79) GPR119MAPTALDH1A1LMNA
SCHEMBL5231173 0.71 GPR119 (0.70) GPR119MAPTALDH1A1LMNAMEN1

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-2015154023-A1 SUBSTITUTED SPIROCYDIC INHIBITORS OF AUTOTAXIN X-RX DISCOVERY, INC. (US) 2015-10-08 WO disclosed