SCHEMBL8990822

SCHEMBL8990822

CCNC(=O)NCc1ccccc1-c1ccc(CN2Cc3ccc(OC)cc3S[C@@H](NC(=O)C(C)(C)N)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 3/20 0.55
KCNA5 P22460 1/20 0.37
KCNH2 Q12809 1/20 0.37
PLA2G2A P14555 2/20 0.35
DRD2 P14416 4/20 0.34
DRD4 P21917 4/20 0.34
DRD3 P35462 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MCHR1 Q99705 1/20 0.33
MAPT P10636 1/20 0.33
MLNR O43193 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
HTR2A P28223 1/20 0.33
ADRA1A P35348 1/20 0.33
SCN9A Q15858 1/20 0.33

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
SCHEMBL8990929 0.94 GHSR (0.55) GHSRKCNA5KCNH2PLA2G2ADRD2
SCHEMBL8990821 0.94 GHSR (0.54) GHSRKCNA5KCNH2PLA2G2ADRD2
SCHEMBL8990924 0.92 GHSR (0.45) GHSRKCNA5KCNH2PLA2G2ASMN1; SMN2
SCHEMBL8990780 0.90 GHSR (0.56) GHSRKCNA5KCNH2DRD2DRD4
SCHEMBL8990983 0.90 GHSR (0.62) GHSRMCHR1MEN1KMT2A
SCHEMBL8990863 0.88 GHSR (0.40) GHSRMEN1KMT2A
SCHEMBL8990869 0.88 GHSR (0.40) GHSRMEN1KMT2A
SCHEMBL8991009 0.86 GHSR (0.42) GHSRKCNA5KCNH2PLA2G2ADRD2
SCHEMBL8991065 0.85 GHSR (0.39) GHSRKCNA5KCNH2PLA2G2ASMN1; SMN2
SCHEMBL8991013 0.84 GHSR (0.56) GHSRKCNA5KCNH2DRD2DRD4

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