SCHEMBL8991077

SCHEMBL8991077

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccc(OC)cc3C[C@@H](NC(=O)CC(C)(C)NC[C@@H](C)O)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
XIAP P98170 1/20 0.35
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SDCBP O00560 1/20 0.32
SDC2 P34741 1/20 0.32
GHSR Q92847 2/20 0.32
AGTR1 P30556 1/20 0.32
MAPK1 P28482 1/20 0.32
ROCK1 Q13464 1/20 0.31
ROCK2 O75116 1/20 0.31
NAMPT P43490 1/20 0.31
LMNA P02545 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPV1 Q8NER1 1/20 0.31

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
SCHEMBL8991080 0.94 FPR2 (0.35) FPR1FPR2XIAPKMT2ANPSR1
SCHEMBL8991127 0.91 MME (0.36) GHSRAGTR1
SCHEMBL8990883 0.91 SMN1; SMN2 (0.35) FPR1FPR2KMT2AGHSRAGTR1
SCHEMBL8990871 0.89 MTNR1A (0.34) XIAPKMT2AGHSRAGTR1MAPK1
SCHEMBL8990943 0.87 FPR1 (0.34) FPR1FPR2XIAPKMT2ANPSR1
SCHEMBL8990798 0.85 GHSR (0.44) XIAPKMT2AGHSR
SCHEMBL8990741 0.85 GHSR (0.45) XIAPKMT2AGHSR
SCHEMBL8991035 0.85 MME (0.36) GHSRAGTR1
SCHEMBL8990911 0.85 SMN1; SMN2 (0.35) FPR1FPR2KMT2AGHSRAGTR1
SCHEMBL8990865 0.85 GHSR (0.44) FPR1FPR2XIAPKMT2ANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5545735-A ANIMAL GROWTH REGULATORS MERCK & CO., INC. (US) 1996-08-13 US claimed