SCHEMBL16099474

SCHEMBL16099474

C[C@@](N)(C(=O)O)c1ccc(Br)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GSK3B P49841 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 4/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BLM P54132 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1818997 1.00 DAO (0.44) DAOCES2CES1GSK3BLMNA
SCHEMBL1819000 1.00 DAO (0.44) DAOCES2CES1GSK3BLMNA
SCHEMBL1492685 0.82 DAO (0.45) DAOCES2CES1GSK3BLMNA
SCHEMBL31283735 0.81 DAO (0.44) DAOCES2CES1GSK3BLMNA
SCHEMBL8344894 0.78 DAO (0.45) DAOLMNATSHRCYP1A2CYP2C19
SCHEMBL1164060 0.73 CES2 (0.38) DAOCES2CES1GSK3BLMNA
SCHEMBL29005605 0.68 MAPK1 (0.39) DAOCES2CES1GSK3BLMNA
SCHEMBL41617 0.68 DAO (0.43) DAOCES2CES1LMNATSHR
SCHEMBL1421302 0.68 DAO (0.43) DAOCES2CES1LMNATSHR
SCHEMBL6135495 0.68 CYP1A2 (0.49) CES2CES1LMNACYP1A2CYP2C19

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
US-20160022636-A1 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 US claimed
EP-2968240-A2 PHYSIOLOGICAL LIGANDS FOR GPR139 Janssen Pharmaceutica, N.V. (BE) 2016-01-20 EP claimed
US-20140336216-A1 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2014-11-13 US claimed
WO-2014152917-A2 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO claimed
US-20160022636-A1 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2016-01-28 US disclosed
EP-2968240-A2 PHYSIOLOGICAL LIGANDS FOR GPR139 Janssen Pharmaceutica, N.V. (BE) 2016-01-20 EP disclosed
WO-2014152917-A2 PHYSIOLOGICAL LIGANDS FOR GPR139 JANSSEN PHARMACEUTICA NV (BE) 2014-09-25 WO disclosed