SCHEMBL3870523

SCHEMBL3870523

O=C(NCCCc1ccccc1)c1c(O)c(-c2ccccc2)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.65
DHODH Q02127 3/20 0.58
PDE10A Q9Y233 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.57
TACR3 P29371 4/20 0.55
TACR2 P21452 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
TACR1 P25103 1/20 0.55
CYP2C19 P33261 1/20 0.55
OPRM1 P35372 1/20 0.55
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
TP53 P04637 1/20 0.49
CNR1 P21554 1/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 1/20 0.49

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 SCHEMBL5499021 0.99 LMNA (0.64) LMNADHODHPDE10AL3MBTL1TACR3
SCHEMBL7616805 0.89 LMNA (0.55) LMNADHODHPDE10AL3MBTL1TACR3
SCHEMBL16553849 0.87 LMNA (0.67) LMNADHODHPDE10AL3MBTL1TACR3
SCHEMBL12564406 0.86 DHODH (0.65) LMNADHODHPDE10AL3MBTL1TACR3
SCHEMBL5049768 0.84 LMNA (0.63) LMNADHODHL3MBTL1TACR3CYP2D6
SCHEMBL4667125 0.83 LMNA (0.62) LMNAPDE10AL3MBTL1TACR3TDP1
SCHEMBL4668093 0.83 LMNA (0.65) LMNAL3MBTL1TACR3TACR2TDP1
SCHEMBL5047970 0.82 LMNA (0.67) LMNAL3MBTL1TACR3TACR2OPRM1
SCHEMBL5046700 0.82 LMNA (0.61) LMNAPDE10AL3MBTL1TACR3TDP1
SCHEMBL5049830 0.82 LMNA (0.67) LMNAPDE10AL3MBTL1TACR3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251829-A4 ELECTROSPUN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP claimed
EP-1534250-A4 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORP (US) 2007-07-04 EP claimed
EP-1534250-A2 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SmithKline Beecham Corporation (US) 2005-06-01 EP claimed
WO-2004014304-A2 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-19 WO claimed
EP-1251829-A1 ELECTROSPUN PHARMACEUTICAL COMPOSITIONS SmithKline Beecham Corporation (US) 2002-10-30 EP claimed
WO-2001054667-A1 ELECTROSPUN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-08-02 WO claimed
WO-2017072629-A1 PHARMACEUTICAL COMBINATION OF NK3 RECEPTOR ANTAGONIST AND BIGUANIDES CADILA HEALTHCARE LIMITED (IN) 2017-05-04 WO disclosed
EP-3041509-A1 METHOD FOR TREATING OR PREVENTING HOT FLUSHES Imperial Innovations Limited (GB) 2016-07-13 EP disclosed
WO-2015033163-A1 METHOD FOR TREATING OR PREVENTING HOT FLUSHES IMPERIAL INNOVATIONS LIMITED (GB) 2015-03-12 WO disclosed
EP-1251829-A4 ELECTROSPUN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
EP-1853262-A1 PHARMACEUTICAL COMPOSITION COMPRISING AMORPHOUS ROSIGLITAZONE SMITHKLINE BEECHAM CORPORATION (US) 2007-11-14 EP disclosed
EP-1534250-A4 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORP (US) 2007-07-04 EP disclosed
WO-2006090150-A1 PHARMACEUTICAL COMPOSITION COMPRISING AMORPHOUS ROSIGLITAZONE SMITHKLINE BEECHAM CORPORATION (US) 2006-08-31 WO disclosed
EP-1534250-A2 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SmithKline Beecham Corporation (US) 2005-06-01 EP disclosed
WO-2004014304-A2 ELECTROSPUN AMORPHOUS PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-19 WO disclosed
EP-1251829-A1 ELECTROSPUN PHARMACEUTICAL COMPOSITIONS SmithKline Beecham Corporation (US) 2002-10-30 EP disclosed
WO-2001054667-A1 ELECTROSPUN PHARMACEUTICAL COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2001-08-02 WO disclosed