SCHEMBL8991080

SCHEMBL8991080

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.35
FPR1 P21462 2/20 0.35
XIAP P98170 1/20 0.34
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 2/20 0.32
GHSR Q92847 2/20 0.32
AGTR1 P30556 1/20 0.32
ROCK2 O75116 1/20 0.31
NAMPT P43490 1/20 0.31
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8991077 0.94 FPR1 (0.36) FPR2FPR1XIAPKMT2ANPSR1
SCHEMBL8991035 0.91 MME (0.36) GHSRAGTR1
SCHEMBL8990911 0.91 SMN1; SMN2 (0.35) FPR2FPR1KMT2AGHSRAGTR1
SCHEMBL8990712 0.90 GHSR (0.43) XIAPKMT2AGHSR
SCHEMBL8990843 0.90 GHSR (0.32) GHSRAGTR1
SCHEMBL8990826 0.88 FPR1 (0.34) FPR2FPR1XIAPKMT2ANPSR1
SCHEMBL8990834 0.86 GHSR (0.44) KMT2AGHSR
SCHEMBL8990932 0.86 GHSR (0.43) KMT2AGHSR
SCHEMBL8991112 0.85 GHSR (0.37) KMT2AGHSRAGTR1
SCHEMBL8991127 0.85 MME (0.36) GHSRAGTR1

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