SCHEMBL7832144

SCHEMBL7832144

O=C(CCc1ccccc1)COc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
MAOA P21397 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MDH2 P40926 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2B P29275 7/20 0.37
ADORA1 P30542 7/20 0.37
PLA2G4B P0C869 2/20 0.36
ADORA2A P29274 1/20 0.36
CHEK1 O14757 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL7824753 0.93 ADORA1 (0.42) CTSVCTSLADORA2BADORA1ADORA2A
SCHEMBL7816229 0.85 MAOA (0.47) CTSVCTSLMAOA
SCHEMBL7824709 0.85 PDE2A (0.41) CTSVCTSLALDH1A1HPGDMDH2
SCHEMBL7827564 0.84 MAOA (0.47) CTSVCTSLMAOA
SCHEMBL7824749 0.84 CTSV (0.60) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7823832 0.82 CTSV (0.41) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7826811 0.82 ALDH1A1 (0.40) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7831628 0.82 ALK (0.38) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7829082 0.81 CTSV (0.44) CTSVCTSLMAOAALDH1A1HPGD
SCHEMBL7823420 0.80 DYRK1A (0.44) MAOAALDH1A1HPGDSMN1; SMN2ADORA2B

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