SCHEMBL22015967

SCHEMBL22015967

Cc1nc(C(C)(C)NC=O)c2cccc(C)c2n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 9/20 0.53
SSTR1 P30872 2/20 0.53
ELANE P08246 5/20 0.40
PARP1 P09874 3/20 0.38
TP53 P04637 1/20 0.38
TNKS O95271 2/20 0.37
TNKS2 Q9H2K2 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL16256086 0.75 SSTR4 (0.47) SSTR4SSTR1ELANEPARP1TP53
SCHEMBL22015377 0.72 CHEK1 (0.40) SSTR4SSTR1PARP1TNKSTNKS2
SCHEMBL22015743 0.71 SSTR4 (0.53) SSTR4
SCHEMBL21778937 0.71 SSTR4 (0.51) SSTR4SSTR1TP53KDM4E
SCHEMBL19724648 0.70 SSTR4 (1.00) SSTR4SSTR1
SCHEMBL19724549 0.70 SSTR4 (1.00) SSTR4SSTR1
SCHEMBL16255861 0.70 SSTR4 (1.00) SSTR4SSTR1
SCHEMBL18179842 0.67 RAD52 (0.54) ELANEPARP1TP53TNKSTNKS2
SCHEMBL22015662 0.67 SSTR4 (0.49) SSTR4SSTR1MEN1KMT2A
SCHEMBL27393825 0.64 CYP2A6 (0.46) SSTR4SSTR1ELANEPARP1TP53

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