SCHEMBL9631344

SCHEMBL9631344

c1cnc(NCCN2CCC(Nc3nc4ccccc4n3Cc3cscn3)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.47
SSTR5 P35346 4/20 0.45
KCNH2 Q12809 13/20 0.45
NR4A2 P43354 1/20 0.44
HTR1A P08908 2/20 0.42
HRH1 P35367 2/20 0.42
MEN1 O00255 1/20 0.42
MLNR O43193 1/20 0.42
CACNA1F O60840 1/20 0.42
USP2 O75604 1/20 0.42
ABCB11 O95342 1/20 0.42
EGFR P00533 1/20 0.42
LMNA P02545 1/20 0.42
HLA-A P04439 1/20 0.42
ERBB2 P04626 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL10554167 0.95 SSTR5 (0.49) EEDSSTR5KCNH2NR4A2HTR1A
SCHEMBL9629371 0.90 HTR1A (0.42) EEDSSTR5KCNH2NR4A2HTR1A
Fumaric Acid SCHEMBL11124984 0.88 SSTR5 (0.45) EEDSSTR5KCNH2NR4A2HTR1A
SCHEMBL9630454 0.87 EED (0.50) EEDSSTR5KCNH2NR4A2HTR1A
SCHEMBL9629505 0.86 SSTR5 (0.47) EEDSSTR5KCNH2NR4A2HTR1A
SCHEMBL9629231 0.85 EED (0.47) EEDSSTR5KCNH2NR4A2HTR1A
SCHEMBL9688923 0.85 EED (0.46) EEDSSTR5KCNH2NR4A2HTR1A
Fumaric Acid SCHEMBL9807334 0.84 HTR1A (0.37) EEDSSTR5KCNH2HTR1ALMNA
SCHEMBL10505664 0.83 SSTR5 (0.46) EEDSSTR5KCNH2NR4A2HTR1A
SCHEMBL9629611 0.83 EED (0.68) EEDSSTR5KCNH2NR4A2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5151424-A Antiallergens or antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-29 US disclosed
US-5071846-A Anti-hystaminic [(bicyclic heterocyclyl) methyl and --hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1991-12-10 US disclosed
US-4988689-A Antiallergens, antihistamines JANSSEN PHARMACEUTICA N.V. (BE) 1991-01-29 US disclosed