SCHEMBL7400754

SCHEMBL7400754

Fc1ccc(COc2ccc(OCCCCCCCN3CCCCC3)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.84
HTT P42858 2/20 0.81
MEN1 O00255 1/20 0.81
LMNA P02545 1/20 0.81
KMT2A Q03164 1/20 0.81
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 2/20 0.65
NPY1R P25929 1/20 0.65
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
USP2 O75604 1/20 0.62
HPGD P15428 1/20 0.62
CACNA1H O95180 1/20 0.60
CACNA1B Q00975 1/20 0.60
KCNH2 Q12809 1/20 0.60
MCHR1 Q99705 1/20 0.60

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
Hydrochloric Acid SCHEMBL7403942 0.99 HRH3 (0.82) HRH3HTTMEN1LMNAKMT2A
SCHEMBL7403863 0.92 HRH3 (1.00) HRH3HTTMEN1LMNAKMT2A
SCHEMBL7371738 0.90 HRH3 (0.86) HRH3HTTMEN1LMNAKMT2A
Hydrochloric Acid SCHEMBL7397299 0.90 HRH3 (0.97) HRH3HTTMEN1LMNAKMT2A
SCHEMBL490523 0.90 MEN1 (1.00) HRH3HTTMEN1LMNAKMT2A
SCHEMBL7139473 0.89 LTA4H (0.75) HRH3HTTMEN1LMNAKMT2A
SCHEMBL5856197 0.89 MEN1 (0.97) HRH3HTTMEN1LMNAKMT2A
SCHEMBL7399660 0.86 HRH3 (0.71) HRH3HTTALDH1A1KDM4ENPY1R
SCHEMBL7400511 0.86 KDM4E (0.85) HRH3HTTALDH1A1KDM4ENPY1R
SCHEMBL7402377 0.86 KDM4E (0.85) HRH3HTTALDH1A1KDM4ENPY1R

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-0637303-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-08 EP claimed
WO-1993022302-A1 N-ARYLOXY(THIO)ALKYL-AZACYCLOALKANES USEFUL AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-11-11 WO claimed