SCHEMBL9629231

SCHEMBL9629231

c1cnc(NCCN2CCC(Nc3nc4ccccc4n3Cc3cnccn3)C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.47
KCNH2 Q12809 13/20 0.47
SSTR5 P35346 4/20 0.46
NR4A2 P43354 1/20 0.44
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
CHRM4 P08173 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
SCHEMBL9631586 0.88 KCNH2 (0.50) EEDKCNH2SSTR5NR4A2HRH1
SCHEMBL9631344 0.85 EED (0.47) EEDKCNH2SSTR5NR4A2HRH1
SCHEMBL9688967 0.84 KCNH2 (0.52) EEDKCNH2SSTR5NR4A2HRH1
SCHEMBL9629611 0.83 EED (0.68) EEDKCNH2SSTR5NR4A2HRH1
SCHEMBL9687001 0.81 KCNH2 (0.50) EEDKCNH2SSTR5NR4A2HRH1
SCHEMBL9690941 0.81 HRH1 (0.41) EEDKCNH2SSTR5NR4A2HRH1
SCHEMBL1151911 0.81 SSTR5 (0.66) EEDKCNH2SSTR5NR4A2HRH1
SCHEMBL10554167 0.80 SSTR5 (0.49) EEDKCNH2SSTR5NR4A2HRH1
SCHEMBL9629256 0.79 KCNH2 (0.46) EEDKCNH2SSTR5NR4A2HRH1
SCHEMBL9630130 0.79 HRH1 (0.53) EEDKCNH2SSTR5NR4A2HRH1

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