SCHEMBL11948846

SCHEMBL11948846

COc1ccc2ccc(C)c(C3NCCc4ccccc43)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.57
MAOA P21397 1/20 0.51
PRCP P42785 2/20 0.45
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HRH1 P35367 1/20 0.40
KDM1A O60341 1/20 0.40
MTNR1A P48039 1/20 0.40
MEN1 O00255 1/20 0.39

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
SCHEMBL11948845 0.92 GID4 (0.56) GID4MAOAPRCPRECQLGAA
SCHEMBL4390310 0.87 GID4 (0.56) GID4MAOAPRCPRECQLGAA
SCHEMBL6986104 0.83 PRCP (0.52) GID4MAOAPRCPRECQLGAA
SCHEMBL11948841 0.83 PRCP (0.47) GID4MAOAPRCPRECQLGAA
SCHEMBL4396321 0.79 GID4 (0.55) GID4MAOAPRCPRECQLGAA
SCHEMBL11948857 0.79 PRCP (0.55) GID4MAOAPRCPRECQLGAA
SCHEMBL11948844 0.77 PRCP (0.46) GID4MAOAPRCPRECQLGAA
SCHEMBL6986787 0.75 GID4 (0.55) GID4MAOAPRCPRECQLGAA
SCHEMBL5520356 0.75 CA1 (0.58) GID4MAOAPRCPCA1CA2
SCHEMBL8406048 0.74 GID4 (0.55) GID4MAOAPRCPRECQLGAA

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-8232399-B2 Chiral ligands, their preparation and uses thereof in asymmetric reactions Li, Chao-Jun (CA) 2012-07-31 US disclosed