SCHEMBL8990776

SCHEMBL8990776

CC(C)(N)C(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3CO)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.47
AGTR1 P30556 1/20 0.37
GRM2 Q14416 2/20 0.35
HDAC1 Q13547 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
FPR1 P21462 2/20 0.34
FPR2 P25090 2/20 0.34
MMP2 P08253 1/20 0.34
HSD17B3 P37058 1/20 0.33
PTGER1 P34995 3/20 0.33
TBXA2R P21731 2/20 0.33
PTGER4 P35408 2/20 0.33
PTGFR P43088 2/20 0.33
PTGER3 P43115 2/20 0.33
PTGIR P43119 2/20 0.33
PTGDR Q13258 2/20 0.33
PTGER2 P43116 1/20 0.33
HSP90AA1 P07900 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
SCHEMBL8990979 0.91 GHSR (0.51) GHSRAGTR1GRM2HDAC1KMT2A
SCHEMBL8990951 0.89 GHSR (0.61) GHSRAGTR1GRM2HDAC1KMT2A
SCHEMBL8990886 0.89 GHSR (0.50) GHSRAGTR1GRM2HDAC1KMT2A
SCHEMBL8990983 0.89 GHSR (0.62) GHSRAGTR1GRM2HDAC1KMT2A
SCHEMBL8990941 0.88 GHSR (0.62) GHSRAGTR1GRM2HDAC1HDAC7
SCHEMBL8990967 0.85 GHSR (0.45) GHSRAGTR1HDAC1KMT2AMEN1
SCHEMBL8990974 0.85 GHSR (0.45) GHSRAGTR1HDAC1KMT2AMEN1
SCHEMBL8990919 0.84 GHSR (0.40) GHSRAGTR1GRM2HDAC1KMT2A
SCHEMBL8990975 0.84 GHSR (0.45) GHSRAGTR1GRM2HDAC1KMT2A
SCHEMBL8990879 0.84 GHSR (0.52) GHSRAGTR1HDAC1KMT2AMEN1

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