SCHEMBL4776650

SCHEMBL4776650

COCCN1C[C@H](C(=O)c2ccccc2)[C@H](c2cccc(F)c2C)[C@@H](C(=O)N2CCCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.44
ALDH1A1 P00352 1/20 0.37
TSHR P16473 3/20 0.37
KDM4E B2RXH2 2/20 0.37
PKM P14618 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NTRK1 P04629 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
LTA4H P09960 1/20 0.34
NPC1 O15118 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
RBP4 P02753 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
SCHEMBL4776626 0.98 MC4R (0.44) MC4RALDH1A1TSHRKDM4EPKM
SCHEMBL4774717 0.92 MC4R (0.43) MC4RALDH1A1TSHRKDM4EMEN1
SCHEMBL4751347 0.92 MC4R (0.44) MC4RALDH1A1MEN1KMT2ANTRK1
SCHEMBL4751666 0.92 MC4R (0.43) MC4RMEN1KMT2ANTRK1RBP4
SCHEMBL4752905 0.92 MC4R (0.43) MC4RMEN1KMT2ANTRK1RBP4
SCHEMBL4779390 0.92 MC4R (0.43) MC4RALDH1A1LMNAMAPTKDM2B
SCHEMBL4752007 0.92 MC4R (0.45) MC4RALDH1A1TSHRKDM4EPKM
SCHEMBL4780053 0.92 MC4R (0.44) MC4RALDH1A1KDM4EMEN1KMT2A
SCHEMBL4752746 0.91 MC4R (0.44) MC4RALDH1A1MEN1KMT2ANTRK1
SCHEMBL4751369 0.91 MC4R (0.42) MC4RALDH1A1MEN1KMT2ANTRK1

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 claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed