SCHEMBL4751640

SCHEMBL4751640

COCCN1C[C@H](C(=O)C2CC2)C(c2cccc(F)c2C)[C@H](C(=O)C2CC2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.41
RBP4 P02753 2/20 0.38
F10 P00742 1/20 0.37
NTRK1 P04629 2/20 0.36
KDM2B Q8NHM5 1/20 0.35
GSK3B P49841 2/20 0.35
LYN P07948 1/20 0.35
GRK2 P25098 1/20 0.35
CLK1 P49759 1/20 0.35
GSK3A P49840 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPK7 Q13164 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
ALOX15 P16050 1/20 0.34
CYP2D6 P10635 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTR2A P28223 1/20 0.34
GRM2 Q14416 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL4871415 0.95 MC4R (0.39) MC4RRBP4F10NTRK1KDM2B
SCHEMBL4815355 0.88 MC4R (0.41) MC4RRBP4F10NTRK1GSK3B
SCHEMBL4789492 0.85 MC4R (0.41) MC4RRBP4F10NTRK1CYP2D6
SCHEMBL4780053 0.84 MC4R (0.44) MC4RF10NTRK1KDM4EALDH1A1
SCHEMBL4752007 0.82 MC4R (0.45) MC4RRBP4NTRK1KDM4EALDH1A1
SCHEMBL4749302 0.82 MC4R (0.45) MC4RRBP4GSK3BLYNGRK2
SCHEMBL4019465 0.81 MC4R (0.42) MC4RF10NTRK1KDM4EALDH1A1
SCHEMBL4019468 0.81 MC4R (0.42) MC4RF10NTRK1KDM4EALDH1A1
SCHEMBL4751807 0.81 MC4R (0.42) MC4RF10NTRK1KDM4EALDH1A1
SCHEMBL4027093 0.81 KDM2B (0.36) MC4RRBP4F10NTRK1KDM2B

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