SCHEMBL8990858

SCHEMBL8990858

COC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)CC(C)(C)N)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.43
AGTR1 P30556 1/20 0.41
TSHR P16473 1/20 0.34
MCL1 Q07820 1/20 0.33
BDKRB1 P46663 1/20 0.33
MCHR1 Q99705 1/20 0.33
HTR7 P34969 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 1/20 0.32
KCNA5 P22460 1/20 0.32
MEN1 O00255 1/20 0.32
GRM2 Q14416 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 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
SCHEMBL8990886 0.92 GHSR (0.50) GHSRAGTR1TSHRBDKRB1MCHR1
SCHEMBL8990991 0.91 GHSR (0.54) GHSRAGTR1TSHRMCHR1HDAC1
SCHEMBL8990681 0.90 GHSR (0.55) GHSRAGTR1MCHR1HDAC1
SCHEMBL8990801 0.89 GHSR (0.39) GHSRAGTR1TSHRBDKRB1KMT2A
SCHEMBL8990750 0.88 GHSR (0.39) GHSRAGTR1TSHRKMT2AKCNA5
SCHEMBL8991136 0.86 GHSR (0.46) GHSRAGTR1TSHRMCHR1
SCHEMBL8991065 0.86 GHSR (0.39) GHSRAGTR1TSHRMCL1HTR7
SCHEMBL8990979 0.83 GHSR (0.51) GHSRAGTR1KMT2AHDAC1KCNA5
SCHEMBL8990767 0.83 GHSR (0.48) GHSRAGTR1MCHR1KCNA5
SCHEMBL8990951 0.82 GHSR (0.61) GHSRAGTR1MCHR1KMT2AHDAC1

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