SCHEMBL4815355

SCHEMBL4815355

CCC(=O)[C@H]1CN(CCOC)C[C@@H](C(=O)CC)C1c1cccc(F)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.41
NTRK1 P04629 7/20 0.37
F10 P00742 1/20 0.36
RBP4 P02753 2/20 0.35
CYP2D6 P10635 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NTRK3 Q16288 3/20 0.34
NTRK2 Q16620 3/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 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
GSK3B P49841 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
KDM4E B2RXH2 2/20 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
SCHEMBL4751640 0.88 MC4R (0.41) MC4RNTRK1F10RBP4CYP2D6
SCHEMBL4789492 0.86 MC4R (0.41) MC4RNTRK1F10RBP4CYP2D6
SCHEMBL4780053 0.85 MC4R (0.44) MC4RNTRK1F10NTRK3NTRK2
SCHEMBL4871415 0.83 MC4R (0.39) MC4RNTRK1F10RBP4TDP1
SCHEMBL4752007 0.83 MC4R (0.45) MC4RNTRK1RBP4KDM4EALDH1A1
SCHEMBL4019468 0.82 MC4R (0.42) MC4RNTRK1F10NTRK3NTRK2
SCHEMBL4019465 0.82 MC4R (0.42) MC4RNTRK1F10NTRK3NTRK2
SCHEMBL4751807 0.82 MC4R (0.42) MC4RNTRK1F10NTRK3NTRK2
SCHEMBL4751989 0.81 MC4R (0.38) MC4RNTRK1F10RBP4ALDH1A1
SCHEMBL4026512 0.81 NPC1 (0.41) MC4RNTRK1F10RBP4RECQL

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