SCHEMBL9630499

SCHEMBL9630499

CCOC(=O)N1CCCC(Nc2nc3ccccc3n2Cc2cccs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 2/20 0.50
ATM Q13315 1/20 0.50
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
NOS2 P35228 1/20 0.46
CYP2D6 P10635 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.43
SSTR5 P35346 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
SCHEMBL9698262 0.97 SMN1; SMN2 (0.54) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9630537 0.91 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9630521 0.86 KDM4E (0.57) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9630481 0.86 ALDH1A1 (0.51) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9629448 0.85 LMNA (0.57) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9629456 0.85 KDM4E (0.50) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9690656 0.85 ALDH1A1 (0.50) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL10429036 0.84 NOS2 (0.52) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL9629294 0.84 LMNA (0.67) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD
SCHEMBL14173464 0.84 NOS2 (0.56) SMN1; SMN2HSD17B10KDM4EALDH1A1HPGD

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