SCHEMBL6652887

SCHEMBL6652887

CN([C]=O)CCN1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CXCR4 P61073 2/20 0.37
SIGMAR1 Q99720 4/20 0.35
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAD52 P43351 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL93222 0.80 SIGMAR1 (0.41) ALDH1A1MAPTPOLBSIGMAR1
SCHEMBL2912801 0.77 ALDH1A1 (0.45) ALDH1A1MAPTPOLBSMN1; SMN2CXCR4
SCHEMBL19604 0.77 ALDH1A1 (0.45) ALDH1A1MAPTPOLBSMN1; SMN2CXCR4
SCHEMBL21848373 0.77 ALDH1A1 (0.45) ALDH1A1MAPTPOLBSMN1; SMN2CXCR4
SCHEMBL6446179 0.77 GLA (0.40) ALDH1A1SMN1; SMN2HSD17B10CHRM3
Piperazine SCHEMBL27980522 0.75 CXCR4 (0.47) ALDH1A1MAPTPOLBSMN1; SMN2CXCR4
Hydrochloric Acid SCHEMBL6151027 0.75 ALDH1A1 (0.44) ALDH1A1MAPTPOLBSMN1; SMN2CXCR4
SCHEMBL6652891 0.73 ALDH1A1 (0.54) ALDH1A1MAPTPOLBSMN1; SMN2CXCR4
SCHEMBL972101 0.72 POLB (0.45) ALDH1A1MAPTPOLBSMN1; SMN2CXCR4
SCHEMBL18024075 0.72 ALDH1A1 (0.42) ALDH1A1MAPTPOLBSMN1; SMN2CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO claimed
CN-1117569-C Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 2003-08-13 CN claimed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP claimed
CN-1143323-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1997-02-19 CN claimed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP claimed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO claimed
WO-1995018619-A9 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2004-10-21 WO disclosed
CN-1117569-C Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 2003-08-13 CN disclosed
CN-1117569-C Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 2003-08-13 CN disclosed
EP-0738150-B1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
US-6117866-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-09-12 US disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0738150-A4 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
CN-1143323-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1997-02-19 CN disclosed
CN-1143323-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORP (US) 1997-02-19 CN disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
EP-0738150-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-10-23 EP disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed
WO-1995018619-A1 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1995-07-13 WO disclosed