SCHEMBL22015387

SCHEMBL22015387

Cc1cccn2c(C(C)(C)NC(=O)[C@@H]3CCNCCO3)ncc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 20/20 1.00
SSTR1 P30872 3/20 0.87
SSTR2 P30874 2/20 0.87
SSTR3 P32745 2/20 0.87
SSTR5 P35346 2/20 0.87

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
SCHEMBL17763065 1.00 SSTR4 (1.00) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL17763160 0.93 SSTR4 (1.00) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL17763067 0.88 SSTR4 (1.00) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL22015658 0.86 SSTR4 (0.75) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL17763050 0.84 SSTR4 (1.00) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL19564999 0.83 SSTR4 (1.00) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL17763158 0.83 SSTR4 (1.00) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL22015564 0.82 SSTR4 (0.74) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL17763177 0.82 SSTR4 (1.00) SSTR4SSTR1SSTR2SSTR3SSTR5
SCHEMBL17763218 0.81 SSTR4 (0.68) SSTR4SSTR1SSTR2SSTR3SSTR5

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