SCHEMBL22015661

SCHEMBL22015661

Cn1nc(C(C)(C)NC=O)c2c(F)cccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 9/20 0.55
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
MAPK13 O15264 1/20 0.34
EIF2AK2 P19525 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
SSTR1 P30872 1/20 0.33
CCR4 P51679 1/20 0.32
KAT2B Q92831 2/20 0.32
PTGER4 P35408 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
SCHEMBL22015975 0.78 SSTR4 (0.55) SSTR4SSTR1
SCHEMBL22015610 0.77 SSTR4 (0.51) SSTR4ALDH1A1KDM4ESSTR1CCR4
SCHEMBL16252856 0.77 SSTR4 (0.49) SSTR4ALDH1A1MEN1KMT2ACYP19A1
SCHEMBL22015693 0.73 SSTR4 (0.55) SSTR4ALDH1A1CYP2C9KDM4ESSTR1
SCHEMBL19724514 0.71 SSTR4 (1.00) SSTR4SSTR1
SCHEMBL16252672 0.71 SSTR4 (1.00) SSTR4SSTR1
SCHEMBL8537040 0.70 MEN1 (0.43) SSTR4ALDH1A1MEN1KMT2ACYP2C9
SCHEMBL16252885 0.69 SSTR4 (0.70) SSTR4SSTR1
SCHEMBL19724400 0.69 SSTR4 (0.70) SSTR4SSTR1
SCHEMBL28159924 0.69 ALDH1A1 (0.51) SSTR4ALDH1A1MEN1KMT2ACYP19A1

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
EP-3218372-B1 MORPHOLINE AND 1,4-OXAZEPANE AMIDES AS SOMATOSTATIN RECEPTOR SUBTYPE 4 (SSTR4) AGONISTS BOEHRINGER INGELHEIM INT (DE) 2020-05-20 EP disclosed