SCHEMBL9630481

SCHEMBL9630481

CCOC(=O)N1CCCC(Nc2nc3ccccc3n2Cc2ccsc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NOS2 P35228 1/20 0.46
SSTR5 P35346 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
PDE6D O43924 2/20 0.44
KCNH2 Q12809 6/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL9629448 0.88 LMNA (0.57) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL9629294 0.86 LMNA (0.67) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL9629616 0.86 KDM4E (0.49) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL9630521 0.86 KDM4E (0.57) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL9630499 0.86 SMN1; SMN2 (0.51) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL14173464 0.83 NOS2 (0.56) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL6995354 0.83 LMNA (0.71) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL9629456 0.82 KDM4E (0.50) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL9690656 0.82 ALDH1A1 (0.50) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL9699749 0.82 KDM4E (0.51) ALDH1A1LMNAGAASMN1; SMN2KDM4E

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