SCHEMBL11948855

SCHEMBL11948855

Cc1c(I)cc2ccccc2c1C1NCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.48
GAA P10253 1/20 0.44
GID4 Q8IVV7 1/20 0.42
RECQL P46063 1/20 0.42
MAOA P21397 1/20 0.40
SLC22A1 O15245 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 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
SCHEMBL4391481 0.85 PRCP (0.46) PRCPGAAGID4RECQLMAOA
SCHEMBL11948848 0.82 GID4 (0.49) PRCPGAAGID4RECQLMAOA
SCHEMBL6986104 0.79 PRCP (0.52) PRCPGAAGID4RECQLMAOA
SCHEMBL11948857 0.74 PRCP (0.55) PRCPGAAGID4RECQLMAOA
SCHEMBL4388623 0.74 MAOA (0.48) PRCPGAAGID4RECQLMAOA
SCHEMBL11948842 0.73 MAPT (0.42) PRCPGAAGID4RECQLMAOA
SCHEMBL4120535 0.73 PRCP (0.50) PRCPGAAGID4RECQLMAPT
SCHEMBL11948844 0.72 PRCP (0.46) PRCPGAAGID4RECQLMAOA
SCHEMBL2676256 0.71 PRCP (0.59) PRCPGAAGID4RECQLSLC22A1
SCHEMBL11948847 0.71 PRCP (0.50) PRCPGAAGID4RECQLMAOA

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