SCHEMBL22015377

SCHEMBL22015377

Cc1cccc2c(C(C)(C)NC=O)n[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
AHR P35869 1/20 0.37
KIF11 P52732 1/20 0.36
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
SSTR1 P30872 1/20 0.34
SSTR4 P31391 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PARP1 P09874 2/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33

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
SCHEMBL22015380 0.86 SSTR4 (0.34) SSTR4LMNAPARP1TNKSTNKS2
SCHEMBL19570339 0.78 SSTR4 (0.40) CHEK1MAPTKMT2AATMSSTR1
SCHEMBL13208507 0.77 AHR (0.46) CHEK1TRIM24TRIM33AHRKIF11
SCHEMBL17763202 0.74 AHR (0.43) CHEK1TRIM24TRIM33AHRKIF11
SCHEMBL17763199 0.74 EPHX2 (0.38) CHEK1MAPTKMT2ASSTR1SSTR4
SCHEMBL22015967 0.72 SSTR4 (0.53) KMT2ASSTR1SSTR4KDM4EPARP1
SCHEMBL22015743 0.72 SSTR4 (0.53) SSTR4MCL1
SCHEMBL16252673 0.70 SSTR4 (0.68) SSTR1SSTR4
SCHEMBL19724371 0.70 SSTR4 (0.68) SSTR1SSTR4
SCHEMBL19724792 0.70 SSTR4 (0.68) SSTR1SSTR4

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