SCHEMBL7479934

SCHEMBL7479934

O=C(c1ccccn1)N1CC2CCC1CN2C(=O)c1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA7 P36544 1/20 0.54
CHRNA4 P43681 1/20 0.54
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
PDE10A Q9Y233 1/20 0.48
GRM5 P41594 1/20 0.48
LMNA P02545 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
EPHX2 P34913 1/20 0.47
RIPK1 Q13546 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RBP4 P02753 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
PLA2G1B P04054 1/20 0.43

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
SCHEMBL3984845 0.78 L3MBTL1 (0.55) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL11382443 0.76 L3MBTL1 (0.53) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17962541 0.74 L3MBTL1 (0.50) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3168186 0.74 DGAT1 (0.58) L3MBTL1EPHX2ALDH1A1SMN1; SMN2
SCHEMBL3168169 0.74 DGAT1 (0.58) L3MBTL1EPHX2ALDH1A1SMN1; SMN2
SCHEMBL17986802 0.74 L3MBTL1 (0.50) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL15549030 0.74 L3MBTL1 (0.50) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL20690378 0.73 L3MBTL1 (0.67) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29688509 0.73 L3MBTL1 (0.66) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7381076 0.73 L3MBTL1 (0.66) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA7

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
US-6200986-B1 Hemoregulatory compounds SMITHKLINE BEECHAM CORPORATION 2001-03-13 US claimed
EP-0861076-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-05-08 EP disclosed
US-6200986-B1 Hemoregulatory compounds SMITHKLINE BEECHAM CORPORATION 2001-03-13 US disclosed
EP-0861076-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-02 EP disclosed
WO-1997017961-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed