SCHEMBL2007649

SCHEMBL2007649

O=C(O)N1CCN(Cc2cc[nH]n2)C[C@@H]1CCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA9 Q16790 4/20 0.40
LMNA P02545 3/20 0.39
SIGMAR1 Q99720 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AGTR2 P50052 1/20 0.37
GAA P10253 1/20 0.37
G6PD P11413 1/20 0.37
DRD4 P21917 1/20 0.36

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
SCHEMBL3135296 0.78 CCR1 (0.41)
SCHEMBL1703906 0.75 SIGMAR1 (0.47) CA1CA2CA4CA9LMNA
SCHEMBL2007646 0.74 PDK1 (0.51) SIGMAR1
SCHEMBL1188918 0.74 MEN1 (0.48) SIGMAR1ALDH1A1AGTR2GAA
SCHEMBL3491620 0.74 CA1 (0.65) CA1CA2CA4CA9LMNA
SCHEMBL14714339 0.74 CA1 (0.65) CA1CA2CA4CA9LMNA
SCHEMBL15279940 0.74 CA1 (0.65) CA1CA2CA4CA9LMNA
SCHEMBL1713773 0.73 CA1 (0.52) CA1CA2CA4CA9SIGMAR1
SCHEMBL4290992 0.72 CA1 (0.56) CA1CA2CA4CA9LMNA
SCHEMBL28429512 0.71 SIGMAR1 (0.54) CA1CA2CA4CA9LMNA

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