SCHEMBL4751369

SCHEMBL4751369

COCCN1C[C@H](C(=O)c2ccccc2)C(c2cccc(F)c2C)[C@H](C(=O)N2CCC(CO)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.42
RBP4 P02753 2/20 0.35
KMT2A Q03164 2/20 0.35
GSK3B P49841 2/20 0.34
RAB9A P51151 1/20 0.34
LTA4H P09960 1/20 0.34
LYN P07948 1/20 0.34
GRK2 P25098 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3A P49840 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPK7 Q13164 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
NTRK1 P04629 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
ATR Q13535 1/20 0.33

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
SCHEMBL4752083 0.94 MC4R (0.41) MC4RRBP4KMT2AGSK3BRAB9A
SCHEMBL4751347 0.92 MC4R (0.44) MC4RRBP4KMT2ANTRK1ALDH1A1
SCHEMBL4752746 0.91 MC4R (0.44) MC4RRBP4KMT2AGSK3BNTRK1
SCHEMBL4776626 0.91 MC4R (0.44) MC4RRBP4KMT2ANTRK1ALDH1A1
SCHEMBL4776650 0.91 MC4R (0.44) MC4RRBP4KMT2ALTA4HNTRK1
SCHEMBL4752905 0.90 MC4R (0.43) MC4RRBP4KMT2ANTRK1MEN1
SCHEMBL4751666 0.90 MC4R (0.43) MC4RRBP4KMT2ANTRK1MEN1
SCHEMBL4751319 0.89 MC4R (0.41) MC4RRBP4KMT2ANTRK1ALDH1A1
SCHEMBL4794920 0.89 MC4R (0.44) MC4RRBP4KMT2ANTRK1ALDH1A1
SCHEMBL4774717 0.88 MC4R (0.43) MC4RKMT2ANTRK1ALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed