SCHEMBL3909168

SCHEMBL3909168

COC(=O)/C=C/c1ccc2cc(Cc3ccccc3)cc(N3CCN(C(=O)OCC(C)C)CC3)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
ADRA1B P35368 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 7/20 0.36
HTT P42858 2/20 0.36
KIT P10721 1/20 0.35
MAPT P10636 5/20 0.35
HSD17B10 Q99714 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3913434 0.90 KIT (0.37) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2854539 0.88 ACHE (0.45) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL2854544 0.88 ACHE (0.45) ADRA1AHRH1ADRA1BHRH3KCNH2
SCHEMBL3908051 0.86 KIT (0.38) ALDH1A1HTTKITMAPTHSD17B10
SCHEMBL3915607 0.86 KIT (0.38) ALDH1A1HTTKITMAPTHSD17B10
SCHEMBL2852692 0.77 CKS1B (0.40) KCNH2HTTMAPTNPSR1LMNA
SCHEMBL2852695 0.77 CKS1B (0.40) KCNH2HTTMAPTNPSR1LMNA
SCHEMBL3916386 0.75 KIT (0.37) HRH1ALDH1A1HTTKITMAPT
SCHEMBL3917775 0.75 SMN1; SMN2 (0.47) ALDH1A1HTTKITMAPTSMN1; SMN2
SCHEMBL3713595 0.71 GPR119 (0.39) HRH3KIT

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
EP-2027108-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE Glaxo Group Limited (GB) 2009-02-25 EP disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 WO disclosed