SCHEMBL9630247

SCHEMBL9630247

CCOC(=O)N1CCCC(Nc2nc3cc(OC)ccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.63
LMNA P02545 4/20 0.63
ALDH1A1 P00352 4/20 0.63
SSTR5 P35346 5/20 0.57
KCNH2 Q12809 5/20 0.55
MAPT P10636 4/20 0.55
EED O75530 2/20 0.55
HRH1 P35367 2/20 0.55
HRH4 Q9H3N8 2/20 0.55
USP2 O75604 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 1/20 0.55
MLNR O43193 1/20 0.55
CACNA1F O60840 1/20 0.55
ABCB11 O95342 1/20 0.55
EGFR P00533 1/20 0.55
HLA-A P04439 1/20 0.55
ERBB2 P04626 1/20 0.55
TP53 P04637 1/20 0.55

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
SCHEMBL9630423 0.94 LMNA (0.63) GAALMNAALDH1A1SSTR5KCNH2
SCHEMBL9632037 0.91 GAA (0.55) GAALMNAALDH1A1SSTR5KCNH2
SCHEMBL10619329 0.90 GAA (0.66) GAALMNAALDH1A1SSTR5KCNH2
SCHEMBL9630599 0.89 GAA (0.53) GAALMNAALDH1A1SSTR5KCNH2
SCHEMBL9629294 0.88 LMNA (0.67) GAALMNAALDH1A1SSTR5KCNH2
SCHEMBL11278216 0.87 GAA (0.57) GAALMNAALDH1A1SSTR5KCNH2
SCHEMBL9629387 0.85 GAA (0.54) GAALMNAALDH1A1SSTR5KCNH2
SCHEMBL6995354 0.84 LMNA (0.71) GAALMNAALDH1A1SSTR5KCNH2
SCHEMBL9698901 0.83 LMNA (0.73) GAALMNAALDH1A1SSTR5KCNH2
SCHEMBL9630400 0.81 GAA (0.53) GAALMNAALDH1A1SSTR5KCNH2

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 5 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
EP-0297661-B1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1992-09-16 EP 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
EP-0297661-A1 [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines JANSSEN PHARMACEUTICA N.V. (BE) 1989-01-04 EP disclosed