SCHEMBL22015341

SCHEMBL22015341

Cc1cccn2c(C(C)(C)NC=O)nnc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 5/20 0.53
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 5/20 0.38
MAPT P10636 3/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.36
NR1I2 O75469 1/20 0.36
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 4/20 0.34
HPGD P15428 1/20 0.34
PARP1 P09874 1/20 0.34
HTT P42858 1/20 0.34
TP53 P04637 1/20 0.34
NR3C2 P08235 1/20 0.33
LMNA P02545 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
SCHEMBL22015379 0.76 SSTR4 (0.54) SSTR4
SCHEMBL22015382 0.76 SSTR4 (0.54) SSTR4KDM4EMAPTRECQLNPSR1
SCHEMBL22015969 0.76 SSTR4 (0.54) SSTR4KDM4EMAPTRECQLNPSR1
SCHEMBL16255883 0.75 SSTR4 (0.47) SSTR4CYP1A2POLBCYP2C9KDM4E
SCHEMBL16256029 0.75 SSTR4 (0.59) SSTR4CYP1A2POLBCYP2C9KMT2A
SCHEMBL25804507 0.73 CYP1A2 (0.57) SSTR4CYP1A2POLBCYP2C9KDM4E
SCHEMBL22015391 0.71 SSTR4 (0.51) SSTR4KDM4EMAPTRECQLNPSR1
SCHEMBL22015657 0.70 SSTR4 (0.60) SSTR4
SCHEMBL16255854 0.70 SSTR4 (1.00) SSTR4
SCHEMBL19724569 0.70 SSTR4 (1.00) SSTR4

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