SCHEMBL4752007

SCHEMBL4752007

COCCN1C[C@H](C(=O)N2CCCCC2)C(c2cccc(F)c2C)[C@H](C(=O)N2CCCCC2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.45
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
DPP4 P27487 2/20 0.40
DPP8 Q6V1X1 2/20 0.40
RBP4 P02753 2/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.35
NTRK1 P04629 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL4776650 0.92 MC4R (0.44) MC4RTSHRKDM4EPKMDPP4
SCHEMBL4776626 0.90 MC4R (0.44) MC4RTSHRKDM4EPKMDPP4
SCHEMBL4749130 0.89 MC4R (0.44) MC4RRBP4KMT2AMAPT
SCHEMBL4749302 0.89 MC4R (0.45) MC4RRBP4KMT2ALMNA
SCHEMBL4752862 0.84 RAB9A (0.42) MC4RRBP4LMNA
SCHEMBL4752864 0.84 RAB9A (0.42) MC4RRBP4LMNA
SCHEMBL4752863 0.84 RAB9A (0.42) MC4RRBP4LMNA
SCHEMBL4751265 0.84 RAB9A (0.42) MC4RRBP4LMNA
SCHEMBL4751666 0.84 MC4R (0.43) MC4RRBP4KMT2ANTRK1MEN1
SCHEMBL4752905 0.84 MC4R (0.43) MC4RRBP4KMT2ANTRK1MEN1

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