SCHEMBL7361876

SCHEMBL7361876

O=C(O)CCNc1ccc(C(=O)N2CCC(C3CCNCC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MBTD1 Q05BQ5 3/20 0.47
POLB P06746 1/20 0.47
ITGB3 P05106 6/20 0.45
ITGA2B P08514 6/20 0.45
SIGMAR1 Q99720 1/20 0.44
PTPN1 P18031 2/20 0.42
EPHX2 P34913 1/20 0.41
PTPN2 P17706 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40

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
Hydrochloric Acid SCHEMBL8690064 0.99 L3MBTL3 (0.55) L3MBTL3L3MBTL1MBTD1POLBITGB3
SCHEMBL7358040 0.84 L3MBTL3 (0.50) L3MBTL3L3MBTL1MBTD1KMT2ALMNA
Hydrochloric Acid SCHEMBL9237217 0.79 ITGB3 (0.46) L3MBTL3L3MBTL1MBTD1ITGB3ITGA2B
SCHEMBL13801428 0.78 SIGMAR1 (0.72) L3MBTL3L3MBTL1MBTD1SIGMAR1PTPN1
SCHEMBL7358852 0.77 L3MBTL3 (0.53) L3MBTL3L3MBTL1MBTD1POLBITGB3
Hydrochloric Acid SCHEMBL9237949 0.76 L3MBTL3 (0.46) L3MBTL3L3MBTL1MBTD1ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7359249 0.76 L3MBTL3 (0.52) L3MBTL3L3MBTL1MBTD1POLBITGB3
SCHEMBL8463058 0.76 L3MBTL3 (0.57) L3MBTL3L3MBTL1MBTD1ITGB3ITGA2B
SCHEMBL8694193 0.75 L3MBTL3 (0.56) L3MBTL3L3MBTL1MBTD1POLBITGB3
Hydrochloric Acid SCHEMBL9058321 0.74 HTT (0.48) L3MBTL3L3MBTL1POLBITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800395-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP claimed
EP-0800395-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP claimed
WO-1996019222-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-27 WO claimed
US-5756519-A Fibrinogen receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1998-05-26 US disclosed
EP-0800395-A4 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
EP-0800395-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP disclosed
WO-1996019222-A1 FIBRINOGEN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-27 WO disclosed