SCHEMBL4720549

SCHEMBL4720549

CNC(=O)CCCNc1ccc(C(F)(F)F)c(-n2nc(-c3cc(OC)cc(OC)c3)c3cc(C)n(CO)c3c2=O)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.33
FPR2 P25090 4/20 0.32
FPR1 P21462 3/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
AGTR1 P30556 2/20 0.31
AGTR2 P50052 2/20 0.31
S1PR1 P21453 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
TP53 P04637 1/20 0.30
AVPR1B P47901 1/20 0.30

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
SCHEMBL4724683 0.86 SCD (0.33) SCDFPR2FPR1MEN1KMT2A
SCHEMBL4720527 0.84 SCD (0.34) SCDFPR2FPR1MAPTTP53
SCHEMBL4719300 0.83 BRD4 (0.35) SCDFPR2FPR1
SCHEMBL4723187 0.81 MAPT (0.34) SCDFPR2FPR1MEN1KMT2A
SCHEMBL4719384 0.79 MAPT (0.34) SCDFPR2FPR1MEN1KMT2A
SCHEMBL4724929 0.79 SCD (0.32) SCDFPR2FPR1MEN1KMT2A
SCHEMBL4722630 0.79 F10 (0.31) SCDFPR2FPR1MEN1KMT2A
SCHEMBL4719755 0.77 MAPT (0.35) SCDFPR2FPR1MEN1KMT2A
SCHEMBL4721953 0.74 PDE4A (0.36) SCDFPR2FPR1MEN1KMT2A
SCHEMBL14102004 0.74 F10 (0.37) MAPTF2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed