SCHEMBL4746196

SCHEMBL4746196

CCCCOC(=O)N1CCOC(Cc2ccc(OCCN)c(F)c2-c2cccc(C)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 3/20 0.36
GRIN2B Q13224 8/20 0.35
P2RY12 Q9H244 3/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ENPP2 Q13822 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL4748944 0.88 KAT6A (0.41) REN
SCHEMBL4746988 0.79 ALDH1A1 (0.34) RENKDM4ENPC1HPGDRAB9A
SCHEMBL4748799 0.78 MTNR1A (0.35) RENGRIN2BKDM4ENPC1GLA
SCHEMBL5616691 0.75 REN (0.39) RENGRIN2BP2RY12LMNAPOLB
SCHEMBL1551996 0.70 POLB (0.36) GRIN2BP2RY12LMNAPOLBSMN1; SMN2
SCHEMBL5616690 0.70 REN (0.45) RENP2RY12LMNAPOLBSMN1; SMN2
SCHEMBL28018928 0.68 POLB (0.57) P2RY12LMNAPOLBSMN1; SMN2ENPP2
SCHEMBL5599014 0.68 REN (0.57) REN
SCHEMBL5599018 0.68 REN (0.57) REN
SCHEMBL23764633 0.65 POLB (0.58) HPGDLMNAPOLBSMN1; SMN2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124582-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 WO disclosed