SCHEMBL7823832

SCHEMBL7823832

O=c1[nH]c2cc(OCC(O)CCc3ccccc3)ccc2c(=O)c2[nH]nnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
MAOA P21397 3/20 0.39
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
MDH2 P40926 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
ALK Q9UM73 1/20 0.33
PTGES O14684 1/20 0.33
CHEK1 O14757 1/20 0.33
MMP12 P39900 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL7816229 0.84 MAOA (0.47) CTSVCTSLMAOA
SCHEMBL7827564 0.84 MAOA (0.47) CTSVCTSLMAOA
SCHEMBL7824749 0.83 CTSV (0.60) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7832144 0.82 CTSV (0.42) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7829082 0.80 CTSV (0.44) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7824605 0.79 CTSV (0.43) CTSVCTSLMAOA
SCHEMBL7824709 0.78 PDE2A (0.41) CTSVCTSLALDH1A1HPGDMDH2
SCHEMBL7827211 0.77 HSD17B10 (0.51) CTSVCTSLALDH1A1HPGDMEN1
SCHEMBL7826811 0.75 ALDH1A1 (0.40) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7831628 0.75 ALK (0.38) CTSVCTSLMAOAALDH1A1HPGD

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-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed