SCHEMBL9632037

SCHEMBL9632037

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.55
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.55
SSTR5 P35346 6/20 0.49
HRH1 P35367 2/20 0.47
HRH4 Q9H3N8 2/20 0.47
KCNH2 Q12809 4/20 0.47
MAPT P10636 3/20 0.47
NR4A2 P43354 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
EED O75530 2/20 0.47
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
CACNA1F O60840 1/20 0.47
USP2 O75604 1/20 0.47
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
HLA-A P04439 1/20 0.47
ERBB2 P04626 1/20 0.47

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
SCHEMBL9630247 0.91 GAA (0.63) GAALMNAALDH1A1SSTR5HRH1
SCHEMBL9630599 0.91 GAA (0.53) GAALMNAALDH1A1SSTR5HRH1
SCHEMBL9629294 0.90 LMNA (0.67) GAALMNAALDH1A1SSTR5HRH1
SCHEMBL11278216 0.89 GAA (0.57) GAALMNAALDH1A1SSTR5HRH1
SCHEMBL9629387 0.88 GAA (0.54) GAALMNAALDH1A1SSTR5HRH1
SCHEMBL9629448 0.86 LMNA (0.57) GAALMNAALDH1A1SSTR5HRH1
SCHEMBL9630423 0.86 LMNA (0.63) GAALMNAALDH1A1SSTR5HRH1
SCHEMBL6995354 0.86 LMNA (0.71) GAALMNAALDH1A1SSTR5HRH1
SCHEMBL9630400 0.83 GAA (0.53) GAALMNAALDH1A1SSTR5HRH1
Hydrochloric Acid SCHEMBL9699826 0.82 GAA (0.55) GAALMNAALDH1A1SSTR5HRH1

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