SCHEMBL1390

SCHEMBL1390

O=C1NCCc2c1c1ccccc1n2CC1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.68
BCHE P06276 4/20 0.58
ALB P02768 3/20 0.58
ACHE P22303 2/20 0.58
BRD2 P25440 1/20 0.52
BRD3 Q15059 1/20 0.52
CREBBP Q92793 1/20 0.52

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
SCHEMBL7286323 0.81 BRD4 (0.47) BRD4BCHEALBACHE
SCHEMBL1391 0.80 BRD4 (0.64) BRD4BCHEALBACHEBRD2
SCHEMBL588 0.77 BCHE (0.69) BRD4BCHEALBACHEBRD2
Hydrochloric Acid SCHEMBL31078359 0.74 HDAC1 (0.49) BRD4
SCHEMBL12216223 0.73 DHFR (0.61) ACHE
SCHEMBL1268 0.72 BCHE (0.62) BRD4BCHEALBACHEBRD2
SCHEMBL17302647 0.72 BRD4 (0.74) BRD4BCHEALBACHEBRD2
SCHEMBL7140681 0.72 NPC1 (0.53) ACHE
SCHEMBL918 0.72 BRD4 (0.57) BRD4BCHEALBACHEBRD2
SCHEMBL9837125 0.71 CYP3A4 (0.74) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
EP-0306323-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1994-09-21 EP disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP disclosed