SCHEMBL22015342

SCHEMBL22015342

Cc1ncc(C(C)(C)NC=O)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 6/20 0.50
SSTR1 P30872 1/20 0.50
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
INSR P06213 1/20 0.32
ALK Q9UM73 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
GPR3 P46089 1/20 0.30

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
SCHEMBL14616910 0.76 SSTR4 (0.46) SSTR4SSTR1CYP2A6KDM4EALDH1A1
SCHEMBL8763418 0.73 ALDH1A1 (0.36) ALDH1A1NPSR1
SCHEMBL22015662 0.73 SSTR4 (0.49) SSTR4SSTR1ALDH1A1SMN1; SMN2
SCHEMBL16252863 0.73 SSTR4 (0.44) SSTR4SSTR1CYP2A6KDM4EALDH1A1
SCHEMBL12337987 0.71 SSTR4 (0.42) SSTR4SSTR1CYP2A6ALDH1A1GPR3
SCHEMBL25003423 0.70 SSTR4 (0.42) SSTR4SSTR1CYP2A6SMN1; SMN2GPR3
SCHEMBL16252655 0.67 SSTR4 (1.00) SSTR4SSTR1
SCHEMBL20840547 0.65 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2
SCHEMBL8763474 0.65 ADH1B (0.31)
SCHEMBL21778937 0.65 SSTR4 (0.51) SSTR4SSTR1CYP2A6KDM4EALDH1A1

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