SCHEMBL9629448

SCHEMBL9629448

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ALDH1A1 P00352 3/20 0.57
GAA P10253 2/20 0.57
SMN1; SMN2 Q16637 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
SSTR5 P35346 4/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
KCNH2 Q12809 6/20 0.49
NR4A2 P43354 2/20 0.49
HRH1 P35367 2/20 0.49
HRH4 Q9H3N8 2/20 0.49

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
SCHEMBL9629294 0.93 LMNA (0.67) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL6995354 0.89 LMNA (0.71) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9630521 0.89 KDM4E (0.57) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9698901 0.88 LMNA (0.73) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9630481 0.88 ALDH1A1 (0.51) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9383903 0.87 ALDH1A1 (0.49) LMNAALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL9632037 0.86 GAA (0.55) LMNAALDH1A1GAASMN1; SMN2NPSR1
SCHEMBL14173464 0.86 NOS2 (0.56) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9629456 0.85 KDM4E (0.50) LMNAALDH1A1GAASMN1; SMN2MEN1
SCHEMBL9630499 0.85 SMN1; SMN2 (0.51) LMNAALDH1A1GAASMN1; SMN2MEN1

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