SCHEMBL14837397

SCHEMBL14837397

COc1cccc(CN2CCO[C@@H](C(=O)N(Cc3cccc4cccnc34)CC(C)C)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.49
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
DRD4 P21917 4/20 0.40
LMNA P02545 3/20 0.39
PKM P14618 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
GRIN2B Q13224 1/20 0.38
MITF O75030 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
FAAH O00519 1/20 0.37
TACR1 P25103 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL14837353 0.93 PROKR2 (0.49) PROKR2KDM4EDRD4LMNAPKM
SCHEMBL14837429 0.90 PROKR2 (0.53) PROKR2ALDH1A1KDM4EDRD4LMNA
SCHEMBL14837329 0.90 PROKR2 (0.50) PROKR2ALDH1A1KDM4EDRD4LMNA
SCHEMBL14837449 0.90 PROKR2 (0.54) PROKR2DRD4LMNAPKMGRIN2B
SCHEMBL14837384 0.89 PROKR2 (0.54) PROKR2ALDH1A1KDM4EGAADRD4
SCHEMBL14837261 0.89 PROKR2 (0.50) PROKR2ALDH1A1KDM4ELMNAPKM
SCHEMBL14837372 0.89 PROKR2 (0.48) PROKR2ALDH1A1KDM4EDRD4LMNA
SCHEMBL14837345 0.88 PROKR2 (0.63) PROKR2DRD4LMNAPKMGRIN2B
SCHEMBL14837428 0.88 PROKR2 (0.51) PROKR2ALDH1A1KDM4EDRD4LMNA
SCHEMBL3520404 0.87 PROKR2 (0.49) PROKR2ALDH1A1KDM4EGAADRD4

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
EP-1959959-B1 MORPHOLINE CARBOXAMIDE PROKINETICIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-04-10 EP claimed