SCHEMBL7943306

SCHEMBL7943306

O=C(c1ccccn1)N1CCN(C(=O)c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 1.00
GAA P10253 3/20 0.62
CHRNB2 P17787 1/20 0.61
CHRNB4 P30926 1/20 0.61
CHRNA3 P32297 1/20 0.61
CHRNA7 P36544 1/20 0.61
CHRNA4 P43681 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.60
ALDH1A1 P00352 2/20 0.60
EPHX2 P34913 1/20 0.60
HTT P42858 1/20 0.59
CES2 O00748 1/20 0.57
CES1 P23141 1/20 0.57
NAMPT P43490 1/20 0.56
LMNA P02545 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
P4HTM Q9NXG6 1/20 0.55
PDE10A Q9Y233 1/20 0.54
RBP4 P02753 1/20 0.53
DRD2 P14416 2/20 0.53

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
SCHEMBL7955601 0.94 L3MBTL1 (0.89) L3MBTL1GAACHRNB2CHRNB4CHRNA3
SCHEMBL1461593 0.93 L3MBTL1 (0.86) L3MBTL1GAACHRNB2CHRNB4CHRNA3
SCHEMBL3390298 0.92 L3MBTL1 (0.86) L3MBTL1GAACHRNB2CHRNB4CHRNA3
SCHEMBL22972207 0.92 L3MBTL1 (0.86) L3MBTL1GAACHRNB2CHRNB4CHRNA3
SCHEMBL31677824 0.92 L3MBTL1 (0.86) L3MBTL1GAACHRNB2CHRNB4CHRNA3
SCHEMBL18228118 0.92 L3MBTL1 (0.86) L3MBTL1GAACHRNB2CHRNB4CHRNA3
SCHEMBL20970608 0.91 L3MBTL1 (0.83) L3MBTL1GAACHRNB2CHRNB4CHRNA3
SCHEMBL13779955 0.91 L3MBTL1 (0.83) L3MBTL1GAACHRNB2CHRNB4CHRNA3
SCHEMBL31305639 0.91 L3MBTL1 (0.83) L3MBTL1GAACHRNB2CHRNB4CHRNA3
SCHEMBL969439 0.91 L3MBTL1 (0.83) L3MBTL1GAACHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194413-B1 VIRICIDES; FUNGICIDES; BACTERICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-27 US claimed
EP-0869793-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-02-03 EP claimed
EP-0869793-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP claimed
WO-1997017973-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO claimed
US-6194413-B1 VIRICIDES; FUNGICIDES; BACTERICIDES SMITHKLINE BEECHAM CORPORATION 2001-02-27 US disclosed
EP-0869793-A4 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1999-02-03 EP disclosed
EP-0869793-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017973-A1 HEMOREGULATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-05-22 WO disclosed