SCHEMBL4749432

SCHEMBL4749432

Cc1c(F)cccc1C1[C@@H](C(=O)c2ncccn2)CN(CCO)C[C@H]1C(=O)c1ncccn1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MC4R P32245 1/20 0.34
HCRTR1 O43613 4/20 0.33
HCRTR2 O43614 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NTRK1 P04629 1/20 0.33
STK4 Q13043 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
F12 P00748 1/20 0.32
CHRM4 P08173 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL4752708 0.87 MEN1 (0.43) CYP2D6TAAR1HCRTR1HCRTR2MEN1
SCHEMBL4022304 0.85 TAS1R3 (0.39) CYP2D6TAAR1MC4RHCRTR1HCRTR2
SCHEMBL4749424 0.85 EED (0.42) CYP2D6TAAR1
SCHEMBL4749426 0.85 EED (0.42) CYP2D6TAAR1
SCHEMBL4749102 0.84 POLB (0.36) MC4RMEN1KMT2A
SCHEMBL4027216 0.83 KMT2A (0.41) MC4RMEN1KMT2A
SCHEMBL4027984 0.83 TAS1R3 (0.37) MC4RHCRTR1HCRTR2MEN1KMT2A
SCHEMBL4020633 0.82 MEN1 (0.35) MC4RMEN1KMT2A
SCHEMBL4019728 0.82 TAS1R3 (0.36) CYP2D6TAAR1MC4RHCRTR1HCRTR2
SCHEMBL4023645 0.82 KDM2B (0.39) MC4RMEN1KMT2ATAS1R3TAS1R1

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