SCHEMBL7084038

SCHEMBL7084038

O=C(Nc1ccccc1CCC(O)c1ccccn1)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.43
ALDH1A1 P00352 1/20 0.41
SORT1 Q99523 1/20 0.40
SCN9A Q15858 2/20 0.40
TACR1 P25103 1/20 0.39
RXFP1 Q9HBX9 3/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
SCN5A Q14524 1/20 0.37
SMO Q99835 1/20 0.37
SRPK1 Q96SB4 1/20 0.37
LRRK2 Q5S007 1/20 0.36

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
SCHEMBL6794057 0.89 SMO (0.45) NTRK1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7083456 0.82 SORT1 (0.46) NTRK1ALDH1A1SORT1SCN9ASCN5A
SCHEMBL6793989 0.77 TRPV1 (0.48) ALDH1A1SORT1SMO
SCHEMBL6789589 0.76 TRPV1 (0.51) ALDH1A1SMO
SCHEMBL7138452 0.74 ALDH1A1 (0.42) NTRK1ALDH1A1RXFP1
SCHEMBL7134201 0.72 LRRK2 (0.51) SORT1LRRK2
SCHEMBL7080705 0.71 SMO (0.49) SORT1SMOLRRK2
SCHEMBL7083654 0.70 SORT1 (0.45) ALDH1A1SORT1RXFP1SMO
SCHEMBL7087226 0.70 SMO (0.49) ALDH1A1SORT1RXFP1SMOSRPK1
SCHEMBL28675083 0.69 PTGDR2 (0.50) NTRK1ALDH1A1TACR1

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-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed