SCHEMBL3674935

SCHEMBL3674935

C[C@H]1CN(Cc2c[nH]nc2-c2ccc3ncoc3c2)CCN1c1ccc(C(F)(F)F)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 2/20 0.37
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CXCR3 P49682 6/20 0.35
SMO Q99835 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 3/20 0.33
CNR2 P34972 1/20 0.33
KMT2A Q03164 1/20 0.32
DRD4 P21917 1/20 0.32
GRM2 Q14416 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
SCHEMBL4398201 0.84 PTGDR2 (0.42) SGPL1LMNASMN1; SMN2CXCR3SMO
SCHEMBL4242797 0.84 SGPL1 (0.38) SGPL1LMNASMN1; SMN2CXCR3SMO
SCHEMBL4251834 0.84 SGPL1 (0.38) SGPL1LMNASMN1; SMN2CXCR3SMO
SCHEMBL2744020 0.84 CXCR3 (0.37) SGPL1LMNASMN1; SMN2CXCR3SMO
SCHEMBL2744385 0.84 CXCR3 (0.37) SGPL1LMNASMN1; SMN2CXCR3SMO
SCHEMBL2744016 0.84 CXCR3 (0.37) SGPL1LMNASMN1; SMN2CXCR3SMO
SCHEMBL13592416 0.83 SGPL1 (0.41) SGPL1LMNASMN1; SMN2CXCR3SMO
SCHEMBL4244454 0.83 SGPL1 (0.41) SGPL1LMNASMN1; SMN2CXCR3SMO
SCHEMBL14311334 0.83 SGPL1 (0.41) SGPL1LMNASMN1; SMN2CXCR3SMO
SCHEMBL13590836 0.83 SGPL1 (0.41) SGPL1LMNASMN1; SMN2CXCR3SMO

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-2167498-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-03-31 EP disclosed
WO-2008157210-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-12-24 WO disclosed