SCHEMBL4454924

SCHEMBL4454924

O=C(Nc1ccc2c(c1)C1=NOCC1CO2)N[C@H]1[C@@H]2CN(c3ccc(F)cc3F)C[C@@H]21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
SHMT2 P34897 1/20 0.36
MALT1 Q9UDY8 1/20 0.35
TRPV1 Q8NER1 11/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
FPR2 P25090 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13784017 1.00 KMT2A (0.39) KMT2ANPC1RAB9AMEN1SHMT2
SCHEMBL4454929 1.00 KMT2A (0.39) KMT2ANPC1RAB9AMEN1SHMT2
SCHEMBL4450024 0.79 RAB9A (0.54) KMT2ANPC1RAB9AMEN1TRPV1
SCHEMBL4450022 0.79 RAB9A (0.54) KMT2ANPC1RAB9AMEN1TRPV1
SCHEMBL13783957 0.79 RAB9A (0.54) KMT2ANPC1RAB9AMEN1TRPV1
SCHEMBL13783979 0.74 CASP3 (0.43) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL4451608 0.74 CASP3 (0.43) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL4451601 0.74 CASP3 (0.43) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL4462424 0.74 KDM4E (0.47) KMT2ANPC1RAB9AMEN1TRPV1
SCHEMBL4462419 0.74 KDM4E (0.47) KMT2ANPC1RAB9AMEN1TRPV1

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