SCHEMBL13618033

SCHEMBL13618033

CN1CCN(C(=O)c2cccc(-c3ccncc3)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
SLC6A7 Q99884 1/20 0.59
POLB P06746 1/20 0.58
ERN1 O75460 4/20 0.56
ADORA2A P29274 1/20 0.54
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
FYN P06241 1/20 0.53
HASPIN Q8TF76 1/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 1/20 0.52
ABL1 P00519 3/20 0.51
BCR P11274 3/20 0.51
PARP1 P09874 1/20 0.51

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
SCHEMBL14980324 0.88 POLB (0.74) L3MBTL1KDM4ESLC6A7POLBERN1
SCHEMBL12228180 0.82 POLB (0.66) L3MBTL1POLBALDH1A1HPGDTSHR
SCHEMBL10723960 0.82 HPGD (0.68) L3MBTL1KDM4EPOLBALDH1A1MAPT
SCHEMBL13743318 0.82 FYN (0.54) L3MBTL1KDM4ESLC6A7POLBERN1
SCHEMBL13826415 0.81 LMNA (0.51) L3MBTL1SLC6A7POLBALDH1A1HPGD
SCHEMBL16222335 0.81 ERN1 (0.62) L3MBTL1KDM4EPOLBERN1ADORA2A
SCHEMBL16000477 0.80 TLR9 (0.50) L3MBTL1SLC6A7POLBALDH1A1HPGD
SCHEMBL27318300 0.80 MAPT (0.55) L3MBTL1KDM4ESLC6A7POLBERN1
SCHEMBL911444 0.79 SLC6A7 (0.57) KDM4ESLC6A7POLBALDH1A1HPGD
SCHEMBL14980278 0.78 ERN1 (0.64) L3MBTL1KDM4EPOLBERN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed
US-7615550-B2 Substituted piperazines,(1,4) diazepines, and 2,5-diazabicyclo (2.2.1)iieptanes as histamine H1 and/or H3 antagonists or histamine H3 reverse antagonists GLAXO GROUP LIMITED (GB) 2009-11-10 US disclosed