SCHEMBL2761863

SCHEMBL2761863

O=C(CC1(C(=O)O)CCCC1)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
KMT2A Q03164 3/20 0.44
CYP2C19 P33261 1/20 0.43
CTNNB1 P35222 4/20 0.42
WNT3A P56704 3/20 0.42
GRM4 Q14833 1/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM5 P41594 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
CYP3A4 P08684 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
SCHEMBL628166 0.78 KDM4E (0.47) L3MBTL1LMNANAPRTP4HTMCES2
SCHEMBL8283151 0.74 GAA (0.50) KMT2ACYP2C19ALDH1A1POLBMEN1
SCHEMBL20559094 0.72 CES2 (0.45) L3MBTL1LMNANAPRTP4HTMCES2
SCHEMBL2761658 0.71 KDM4E (0.43) KMT2AALDH1A1NPSR1MEN1SMN1; SMN2
SCHEMBL253276 0.70 CES2 (0.64) L3MBTL1LMNANAPRTP4HTMCES2
SCHEMBL2470002 0.70 CTNNB1 (0.71) L3MBTL1LMNANAPRTP4HTMCES2
SCHEMBL29355245 0.70 CES2 (0.64) L3MBTL1LMNANAPRTP4HTMCES2
SCHEMBL9493294 0.70 LMNA (0.61) L3MBTL1LMNANAPRTP4HTMCES2
SCHEMBL23354036 0.69 LMNA (0.55) L3MBTL1LMNANAPRTP4HTMCES2
SCHEMBL2418294 0.69 CTNNB1 (0.55) L3MBTL1LMNANAPRTP4HTMCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010149888-A1 DERIVATIVES OF 2-MERCAPTOCYCLOPENTANE CARBOXYLIC ACID, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME LES LABORATOIRES SERVIER (FR) 2010-12-29 WO disclosed