SCHEMBL22015655

SCHEMBL22015655

Cc1nc(C(C)(C)NC=O)n2cccc(F)c12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 18/20 0.55
SSTR1 P30872 1/20 0.33
SSTR3 P32745 1/20 0.33
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 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
SCHEMBL22015969 0.86 SSTR4 (0.54) SSTR4SSTR1SSTR3
SCHEMBL22015549 0.82 SSTR4 (0.61) SSTR4SSTR1SSTR3
SCHEMBL21778955 0.81 SSTR4 (0.66) SSTR4SSTR1SSTR3
SCHEMBL16255998 0.77 SSTR4 (0.50) SSTR4GUCY1B2GUCY1A2GUCY1A1GUCY1B1
SCHEMBL22015657 0.73 SSTR4 (0.60) SSTR4SSTR1SSTR3
SCHEMBL16256004 0.70 SSTR4 (0.70) SSTR4SSTR1SSTR3
SCHEMBL19724597 0.70 SSTR4 (0.70) SSTR4SSTR1SSTR3
SCHEMBL22015341 0.69 SSTR4 (0.53) SSTR4
SCHEMBL17763181 0.68 SSTR4 (1.00) SSTR4
SCHEMBL22015379 0.68 SSTR4 (0.54) SSTR4SSTR1SSTR3

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