SCHEMBL4451822

SCHEMBL4451822

O=C(Nc1ccccc1N1CCOC1=O)N[C@H]1[C@@H]2CN(c3ccc(F)cc3F)C[C@@H]21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.46
FPR2 P25090 1/20 0.46
MGAT2 Q10469 1/20 0.41
GAA P10253 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD2 P14416 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
GRM5 P41594 1/20 0.37
P2RY1 P47900 2/20 0.37

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
SCHEMBL4451828 1.00 FPR1 (0.46) FPR1FPR2MGAT2GAAALDH1A1
SCHEMBL13783918 1.00 FPR1 (0.46) FPR1FPR2MGAT2GAAALDH1A1
SCHEMBL4316449 0.85 KMT2A (0.49) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL13783800 0.85 KMT2A (0.49) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL4316447 0.85 KMT2A (0.49) GAAALDH1A1MEN1KMT2AKDM4E
SCHEMBL13784018 0.84 NPSR1 (0.56) GAAALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL4316894 0.84 NPSR1 (0.56) GAAALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL4316889 0.84 NPSR1 (0.56) GAAALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL13783960 0.81 NPC1 (0.41) GAAALDH1A1MEN1KMT2ADRD2
SCHEMBL13783891 0.78 ALDH1A1 (0.44) GAAALDH1A1MEN1KMT2ADRD2

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
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO claimed
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed