SCHEMBL7594492

SCHEMBL7594492

CCOC(=O)CN1C(=O)[C@@H](N)CCC2CCCCC21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.38
HTT P42858 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.36
ELANE P08246 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL7594489 1.00 KMT2A (0.44) KMT2AABL1RIN1TDP1POLB
SCHEMBL9515276 0.81 PLA2G10 (0.36) ALDH1A1KDM4EL3MBTL1
SCHEMBL7488258 0.80 ACE (0.36) TDP1HTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL7488263 0.80 ACE (0.36) TDP1HTTALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL10907399 0.79 ACE (0.36) TDP1HTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10909099 0.79 ACE (0.36) TDP1HTTALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL10907401 0.79 ACE (0.36) TDP1HTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10909104 0.79 ACE (0.36) TDP1HTTALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10909102 0.79 CYP3A4 (0.33) KMT2ATDP1HTTALDH1A1MAPT
SCHEMBL10503975 0.78 KMT2A (0.48) KMT2AABL1RIN1TDP1POLB

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
US-4575503-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1986-03-11 US disclosed
US-4473575-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-09-25 US disclosed
US-4410520-A ANGIOTENSION CONVERTING ENZYME INGIBITOR, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed
EP-0072352-A1 Benzazepin-2-ones, process for their preparation, pharmaceutical preparations containing these compounds and the compounds for therapeutical use CIBA-GEIGY AG (CH) 1983-02-16 EP disclosed