SCHEMBL4316449

SCHEMBL4316449

O=C(Nc1ccccc1N1CCOCC1)NC1C2CN(c3ccc(F)cc3F)CC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 4/20 0.47
GAA P10253 3/20 0.47
HTT P42858 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
PIK3CA P42336 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL4316447 1.00 KMT2A (0.49) KMT2AALDH1A1MEN1GAAHTT
SCHEMBL13783800 1.00 KMT2A (0.49) KMT2AALDH1A1MEN1GAAHTT
SCHEMBL13784018 0.91 NPSR1 (0.56) KMT2AALDH1A1GAAHTTMAPT
SCHEMBL4316894 0.91 NPSR1 (0.56) KMT2AALDH1A1GAAHTTMAPT
SCHEMBL4316889 0.91 NPSR1 (0.56) KMT2AALDH1A1GAAHTTMAPT
SCHEMBL4451828 0.85 FPR1 (0.46) KMT2AALDH1A1MEN1GAAHTT
SCHEMBL13783918 0.85 FPR1 (0.46) KMT2AALDH1A1MEN1GAAHTT
SCHEMBL4451822 0.85 FPR1 (0.46) KMT2AALDH1A1MEN1GAAHTT
SCHEMBL13783960 0.83 NPC1 (0.41) KMT2AALDH1A1MEN1GAAHTT
SCHEMBL13783891 0.80 ALDH1A1 (0.44) KMT2AALDH1A1MEN1GAAHTT

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