SCHEMBL4316889

SCHEMBL4316889

O=C(Nc1ccccc1N1CCCC1)N[C@H]1[C@@H]2CN(c3ccc(F)cc3F)C[C@@H]21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.56
GAA P10253 3/20 0.56
TSHR P16473 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KCNQ2 O43526 8/20 0.49
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
GLA P06280 1/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL13784018 1.00 NPSR1 (0.56) NPSR1GAATSHRTDP1MAPK1
SCHEMBL4316894 1.00 NPSR1 (0.56) NPSR1GAATSHRTDP1MAPK1
SCHEMBL13783800 0.91 KMT2A (0.49) NPSR1GAATSHRMAPK1SMN1; SMN2
SCHEMBL4316447 0.91 KMT2A (0.49) NPSR1GAATSHRMAPK1SMN1; SMN2
SCHEMBL4316449 0.91 KMT2A (0.49) NPSR1GAATSHRMAPK1SMN1; SMN2
SCHEMBL13783960 0.85 NPC1 (0.41) NPSR1GAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4451828 0.84 FPR1 (0.46) NPSR1GAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL13783918 0.84 FPR1 (0.46) NPSR1GAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL4451822 0.84 FPR1 (0.46) NPSR1GAASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL13783891 0.83 ALDH1A1 (0.44) NPSR1GAASMN1; SMN2ALDH1A1L3MBTL1

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