SCHEMBL2224866

SCHEMBL2224866

CCCOc1nc(Oc2ccc(F)cc2F)nc2oc(-c3cc(C)c(OCC(=O)N4CCC[C@@H]4OC(=O)O)c(C)c3)nc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
S1PR1 P21453 1/20 0.33
BRD4 O60885 8/20 0.33
TPH1 P17752 2/20 0.32
CREBBP Q92793 1/20 0.31
MAPK14 Q16539 1/20 0.31
MAPK8 P45983 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
SCHEMBL2226520 0.95 S1PR1 (0.34) S1PR1BRD4TPH1
SCHEMBL2226748 0.95 S1PR1 (0.33) S1PR1
SCHEMBL2226618 0.94 S1PR1 (0.36) HCRTR1HCRTR2S1PR1
SCHEMBL2224861 0.92 KMT2A (0.39) HCRTR1HCRTR2RAB9ANPC1S1PR1
SCHEMBL15021708 0.92 KMT2A (0.39) HCRTR1HCRTR2RAB9ANPC1S1PR1
SCHEMBL2226922 0.90 S1PR1 (0.37) S1PR1
SCHEMBL2229706 0.89 S1PR1 (0.41) S1PR1
SCHEMBL2227532 0.88 S1PR1 (0.31) S1PR1
SCHEMBL15021656 0.87 KMT2A (0.37) S1PR1
SCHEMBL2226516 0.87 KMT2A (0.37) S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2523959-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-11-27 EP claimed
EP-2523959-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI (FR) 2012-11-21 EP claimed
WO-2011086078-A1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI-AVENTIS (FR) 2011-07-21 WO claimed
EP-2523959-B1 HETEROCYCLIC CARBOXYLIC ACID DERIVATIVES HAVING A 2,5,7-SUBSTITUTED OXAZOLOPYRIMIDINE RING SANOFI SA (FR) 2013-11-27 EP disclosed