SCHEMBL4980558

SCHEMBL4980558

O=C(O)C1CNc2cc(C(F)(F)F)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.43
CHRNA4 P43681 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
PRKAB2 O43741 1/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA2 P54646 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAG3 Q9UGI9 1/20 0.37
PRKAG2 Q9UGJ0 1/20 0.37
PRKAB1 Q9Y478 1/20 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
SCHEMBL19643505 0.85 SMN1; SMN2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL3906901 0.80 PRKAB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3KDM4E
SCHEMBL15545277 0.79 SMN1; SMN2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL14885415 0.76 PRKAB2 (0.42) MEN1KMT2AALDH1A1L3MBTL1PRKAB2
SCHEMBL5809094 0.76 PRKAB2 (0.39) CHRNB2CHRNA4MEN1KMT2AGAA
SCHEMBL3903010 0.76 PRKAB2 (0.44) CHRNB2CHRNA4ALDH1A1PRKAB2PRKAG1
SCHEMBL22492485 0.74 F12 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL7089442 0.73 HSPA1A (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28288836 0.72 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3MEN1
SCHEMBL1210201 0.72 HPGD (0.45) MEN1KMT2AGAAMAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP claimed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO claimed
EP-1987019-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-11-05 EP disclosed
WO-2007093540-A1 BENZOYL-PIPERIDINE DERIVATIVES AS 5HT2/D3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed