SCHEMBL7329491

SCHEMBL7329491

CCCCCN1CCCCC1CCOc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 5/20 0.49
HCRTR1 O43613 2/20 0.48
HCRTR2 O43614 2/20 0.48
LTA4H P09960 2/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
MAOB P27338 1/20 0.46
S1PR1 P21453 2/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR5 Q9H228 2/20 0.45
S1PR4 O95977 1/20 0.45
MAPT P10636 1/20 0.44
HTR2A P28223 1/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 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
Oxalic Acid SCHEMBL7324624 0.94 HCRTR1 (0.52) MEN1LMNAHTTKMT2AHRH3
SCHEMBL11447662 0.84 LTA4H (0.53) HRH3LTA4H
SCHEMBL7330703 0.84 HRH3 (0.52) MEN1KMT2AHRH3LTA4HALDH1A1
SCHEMBL7327714 0.83 HCRTR1 (0.55) HCRTR1HCRTR2LTA4HALDH1A1S1PR1
SCHEMBL7328727 0.80 FAAH (0.51) MEN1KMT2AHRH3ALDH1A1MAOB
SCHEMBL11448541 0.80 HCRTR1 (0.49) MEN1LMNAHTTKMT2AHRH3
Oxalic Acid SCHEMBL7359206 0.80 LTA4H (0.55) MEN1HTTKMT2AHRH3LTA4H
Oxalic Acid SCHEMBL7359209 0.80 LTA4H (0.55) MEN1HTTKMT2AHRH3LTA4H
SCHEMBL11457025 0.79 SLC2A1 (0.53) HRH3LTA4HMAPT
Hydrochloric Acid SCHEMBL9528055 0.79 S1PR1 (0.41) S1PR1S1PR3S1PR5S1PR4

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-0629190-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-21 EP claimed
WO-1993015052-A1 COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-08-05 WO claimed