SCHEMBL9629294

SCHEMBL9629294

CCOC(=O)N1CCCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
GAA P10253 2/20 0.67
ALDH1A1 P00352 2/20 0.67
SSTR5 P35346 8/20 0.62
KCNH2 Q12809 6/20 0.59
NR4A2 P43354 2/20 0.59
HRH1 P35367 4/20 0.58
CYP2D6 P10635 3/20 0.58
HRH4 Q9H3N8 2/20 0.58
EED O75530 2/20 0.58
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 1/20 0.58
MLNR O43193 1/20 0.58
CACNA1F O60840 1/20 0.58
USP2 O75604 1/20 0.58
ABCB11 O95342 1/20 0.58
EGFR P00533 1/20 0.58
HLA-A P04439 1/20 0.58

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
SCHEMBL6995354 0.96 LMNA (0.71) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL9629448 0.93 LMNA (0.57) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL9698303 0.92 LMNA (0.65) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL9630113 0.91 LMNA (0.67) LMNAGAAALDH1A1SSTR5KCNH2
Hydrochloric Acid SCHEMBL9699489 0.90 LMNA (0.64) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL9632037 0.90 GAA (0.55) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL9629387 0.89 GAA (0.54) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL9630599 0.89 GAA (0.53) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL9630400 0.88 GAA (0.53) LMNAGAAALDH1A1SSTR5KCNH2
SCHEMBL9630423 0.88 LMNA (0.63) LMNAGAAALDH1A1SSTR5KCNH2

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 4 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