SCHEMBL14837372

SCHEMBL14837372

COc1ccc(F)c(CN2CCO[C@@H](C(=O)N(Cc3cccc4cccnc34)CC(C)C)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR2 Q8NFJ6 4/20 0.48
MTNR1B P49286 2/20 0.41
LMNA P02545 3/20 0.40
PKM P14618 2/20 0.40
PPARG P37231 1/20 0.37
DRD4 P21917 2/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 2/20 0.36
MITF O75030 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXRB P28702 1/20 0.36
GPR6 P46095 1/20 0.36
POLB P06746 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL14837329 0.92 PROKR2 (0.50) PROKR2LMNAPKMDRD4KMT2A
SCHEMBL14837318 0.90 PROKR2 (0.51) PROKR2LMNAPKMKMT2AMEN1
SCHEMBL14837397 0.89 PROKR2 (0.49) PROKR2LMNAPKMDRD4KMT2A
SCHEMBL14837236 0.88 PROKR2 (0.53) PROKR2LMNAPKMDRD4KMT2A
SCHEMBL14837345 0.88 PROKR2 (0.63) PROKR2LMNAPKMDRD4KMT2A
SCHEMBL14837357 0.88 PROKR2 (0.51) PROKR2LMNAPKMDRD4KMT2A
SCHEMBL14837341 0.88 PROKR2 (0.48) PROKR2LMNAPKMKMT2AALDH1A1
SCHEMBL14837261 0.87 PROKR2 (0.50) PROKR2LMNAPKMKMT2AALDH1A1
SCHEMBL3521149 0.87 PROKR2 (0.51) PROKR2MTNR1BPPARGDRD4KMT2A
SCHEMBL14837278 0.87 PROKR2 (0.48) PROKR2LMNAPKMDRD4RXRB

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