SCHEMBL8991069

SCHEMBL8991069

CNC(=O)NC(C)c1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 5/20 0.44
PTGER1 P34995 3/20 0.34
PTGER4 P35408 2/20 0.34
PTGER3 P43115 2/20 0.34
PTGER2 P43116 1/20 0.34
AGTR1 P30556 1/20 0.33
OXTR P30559 1/20 0.32
PRCP P42785 1/20 0.32
XIAP P98170 1/20 0.32
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC7 Q8WUI4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 2/20 0.30
GRM2 Q14416 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
SCHEMBL8990930 0.86 GHSR (0.48) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL8990951 0.84 GHSR (0.61) GHSRPTGER1PTGER3AGTR1XIAP
SCHEMBL8990975 0.84 GHSR (0.45) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL8990776 0.83 GHSR (0.47) GHSRPTGER1PTGER4PTGER3PTGER2
SCHEMBL8990979 0.79 GHSR (0.51) GHSRPTGER1AGTR1XIAPHDAC1
SCHEMBL8990967 0.79 GHSR (0.45) GHSRAGTR1HDAC1HDAC7MEN1
SCHEMBL8990974 0.79 GHSR (0.45) GHSRAGTR1HDAC1HDAC7MEN1
SCHEMBL8990915 0.79 GHSR (0.48) GHSRPTGER1PTGER3AGTR1HDAC1
SCHEMBL8990983 0.79 GHSR (0.62) GHSRPTGER1PTGER3AGTR1XIAP
SCHEMBL8990941 0.79 GHSR (0.62) GHSRPTGER1PTGER3AGTR1HDAC1

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