SCHEMBL4871415

SCHEMBL4871415

COCCN1C[C@H](C(=O)C2CCCCC2)C(c2cccc(F)c2C)[C@@H](C(=O)C2CCCCC2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
RBP4 P02753 2/20 0.36
F10 P00742 1/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NTRK1 P04629 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
ACKR3 P25106 1/20 0.34
SLC6A1 P30531 3/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
SLC6A11 P48066 1/20 0.34

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 0.95 MC4R (0.41) MC4RKDM2BRBP4F10ALDH1A1
SCHEMBL4027093 0.86 KDM2B (0.36) MC4RKDM2BRBP4F10ALDH1A1
SCHEMBL4752007 0.84 MC4R (0.45) MC4RRBP4ALDH1A1TSHRKDM4E
SCHEMBL4815355 0.83 MC4R (0.41) MC4RRBP4F10ALDH1A1TSHR
SCHEMBL4789492 0.82 MC4R (0.41) MC4RRBP4F10NTRK1
SCHEMBL4780053 0.81 MC4R (0.44) MC4RF10ALDH1A1KDM4EMAPK1
SCHEMBL4752864 0.80 RAB9A (0.42) MC4RRBP4TDP1
SCHEMBL4752863 0.80 RAB9A (0.42) MC4RRBP4TDP1
SCHEMBL4752862 0.80 RAB9A (0.42) MC4RRBP4TDP1
SCHEMBL4751265 0.80 RAB9A (0.42) MC4RRBP4TDP1

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
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed