SCHEMBL9688923

SCHEMBL9688923

NC(=S)NCCN1CCC(Nc2nc3ccccc3n2Cc2cscn2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.46
KCNH2 Q12809 14/20 0.44
NR4A2 P43354 1/20 0.44
SSTR5 P35346 5/20 0.44
MEN1 O00255 1/20 0.41
MLNR O43193 1/20 0.41
CACNA1F O60840 1/20 0.41
USP2 O75604 1/20 0.41
ABCB11 O95342 1/20 0.41
EGFR P00533 1/20 0.41
LMNA P02545 1/20 0.41
HLA-A P04439 1/20 0.41
ERBB2 P04626 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
ABCB1 P08183 1/20 0.41

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
SCHEMBL9629505 0.89 SSTR5 (0.47) EEDKCNH2NR4A2SSTR5MEN1
SCHEMBL9689831 0.89 HTR1A (0.36) EEDKCNH2NR4A2SSTR5MEN1
SCHEMBL9630454 0.87 EED (0.50) EEDKCNH2NR4A2SSTR5MEN1
SCHEMBL9631344 0.85 EED (0.47) EEDKCNH2NR4A2SSTR5MEN1
SCHEMBL9629397 0.85 EED (0.39) EEDKCNH2NR4A2SSTR5MEN1
SCHEMBL9699679 0.84 SSTR5 (0.50) EEDKCNH2NR4A2SSTR5MEN1
SCHEMBL9689139 0.83 EED (0.47) EEDKCNH2NR4A2SSTR5MEN1
SCHEMBL9631464 0.83 EED (0.46) EEDKCNH2NR4A2SSTR5MEN1
SCHEMBL9690981 0.82 EED (0.67) EEDKCNH2NR4A2SSTR5MEN1
SCHEMBL4984732 0.82 SSTR5 (0.52) EEDKCNH2NR4A2SSTR5MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP disclosed
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed