SCHEMBL2222697

SCHEMBL2222697

O=C(O)O[C@H]1CCCN1C(=O)/C=C/c1ccc(-c2nc3cnc(Oc4ccccc4F)nc3o2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.37
HPSE Q9Y251 1/20 0.33
APP P05067 2/20 0.33
CYP3A4 P08684 2/20 0.33
BTK Q06187 2/20 0.32
S1PR1 P21453 1/20 0.32
CYP2C19 P33261 2/20 0.32
FFAR1 O14842 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
GCK P35557 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL2222333 0.90 HRH3 (0.33) HRH3APPCYP3A4BTKS1PR1
SCHEMBL2222693 0.90 HRH3 (0.38) HRH3APPCYP3A4BTKS1PR1
SCHEMBL14777609 0.90 HRH3 (0.38) HRH3APPCYP3A4BTKS1PR1
SCHEMBL14777610 0.90 HRH3 (0.38) HRH3APPCYP3A4BTKS1PR1
SCHEMBL15310101 0.89 S1PR1 (0.37) CYP3A4BTKS1PR1CYP2C19FFAR1
SCHEMBL2223318 0.86 CPT1A (0.41) S1PR1FFAR1
SCHEMBL2223229 0.85 PRCP (0.41) BTKS1PR1FFAR1GRIN2B
SCHEMBL14777420 0.84 ROCK2 (0.35) HRH3APPBTKCYP2C19MEN1
SCHEMBL14777422 0.84 ROCK2 (0.35) HRH3APPBTKCYP2C19MEN1
SCHEMBL14777421 0.84 ROCK2 (0.35) HRH3APPBTKCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP claimed
EP-2523960-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP claimed
WO-2011086080-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO claimed
EP-2523960-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-10-16 EP disclosed
EP-2523960-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP disclosed
WO-2011086080-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed