SCHEMBL11948848

SCHEMBL11948848

COc1cc2ccccc2c(C2NCCc3ccccc32)c1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.49
MAOA P21397 1/20 0.46
PRCP P42785 5/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.43
DYRK1A Q13627 1/20 0.40
ADRB2 P07550 2/20 0.39
OPRM1 P35372 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
SCHEMBL4388623 0.87 MAOA (0.48) GID4MAOAPRCPMEN1KMT2A
SCHEMBL11948855 0.82 PRCP (0.48) GID4MAOAPRCPMEN1KMT2A
SCHEMBL6986104 0.77 PRCP (0.52) GID4MAOAPRCPMEN1KMT2A
SCHEMBL11948845 0.76 GID4 (0.56) GID4MAOAPRCPMEN1KMT2A
SCHEMBL6986787 0.76 GID4 (0.55) GID4MAOAPRCPMEN1KMT2A
SCHEMBL2796297 0.74 GID4 (0.63) GID4MAOAPRCPMEN1KMT2A
SCHEMBL22728765 0.74 GID4 (0.63) GID4MAOAPRCPMEN1KMT2A
SCHEMBL2792861 0.74 GID4 (0.63) GID4MAOAPRCPMEN1KMT2A
SCHEMBL28686857 0.73 GID4 (0.49) GID4MAOAPRCPMEN1KMT2A
SCHEMBL4396321 0.73 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