SCHEMBL9101666

SCHEMBL9101666

CCCN1C(=O)c2cc(N)cnc2Oc2cc(C)cc(C)c21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL9097611 0.92 MAPT (0.36) MAPTPOLBLMNASMN1; SMN2
SCHEMBL9100099 0.85 RAF1 (0.32) MAPTPOLB
SCHEMBL9099714 0.76 TP53 (0.35) MAPTL3MBTL1
SCHEMBL9103407 0.71 PIK3CD (0.38) MAPTPOLBLMNASMN1; SMN2
SCHEMBL9100834 0.63 TP53 (0.34) MAPTLMNASMN1; SMN2
SCHEMBL9098811 0.61 MAPT (0.32) MAPTPOLB
SCHEMBL8005568 0.59 CASP1 (0.60) MAPTPOLB
SCHEMBL19138456 0.59 ALPL (0.49)
SCHEMBL19138410 0.59 ALPL (0.47)
SCHEMBL9099840 0.58 MAPT (0.58) MAPTPOLBLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415303-B1 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1995-12-13 EP claimed
EP-0415303-A2 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-03-06 EP claimed
US-5550122-A INHIBIT REVERSE TRANSCRIPTASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
EP-0415303-B1 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMA (US) 1995-12-13 EP disclosed
EP-0415303-A2 Pyrido [2,3-b][1,5]benzoxazepin (and thiazepin)-5(6H)-ones and -thiones and their use in the prevention or treatment of HIV infection BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1991-03-06 EP disclosed