SCHEMBL2007650

SCHEMBL2007650

C[C@]1(Cc2ccccc2)CN(Cc2cc[nH]n2)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
ATM Q13315 1/20 0.36
TSHR P16473 3/20 0.35
CYP2D6 P10635 5/20 0.34
CYP3A4 P08684 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PKM P14618 2/20 0.34
LMNA P02545 2/20 0.33
MAPK1 P28482 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
SCHEMBL1703971 0.77 ALDH1A1 (0.51) POLBALDH1A1KDM4ECYP2D6CYP3A4
SCHEMBL2010193 0.76 OPRD1 (0.37) POLBALDH1A1KDM4EGAA
SCHEMBL1703908 0.76 ALDH1A1 (0.43) POLBALDH1A1KDM4ETSHRCYP2D6
SCHEMBL1633895 0.76 KDM4E (0.51) POLBALDH1A1KDM4ECYP2D6CYP3A4
SCHEMBL1188920 0.74 MEN1 (0.48) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL5619307 0.73 OPRM1 (0.40) ALDH1A1TSHRCYP2D6
SCHEMBL1704166 0.70 KDM4E (0.40) POLBALDH1A1KDM4EGAAMEN1
SCHEMBL14813579 0.69 GAA (0.50) POLBALDH1A1KDM4EGAATSHR
SCHEMBL5743699 0.68 ALOX15 (0.39) GAAKMT2A
SCHEMBL18011026 0.68 ALOX15 (0.39) GAAKMT2A

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
US-7964602-B2 Biaryl compounds useful as agonists of the Gpr38 receptor GLAXO GROUP LIMITED (GB) 2011-06-21 US disclosed