SCHEMBL8990979

SCHEMBL8990979

CC(C)(N)C(=O)N[C@@H]1Sc2ccccc2CN(Cc2ccc(-c3ccccc3CNC(N)=O)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.51
AGTR1 P30556 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
THRB P10828 1/20 0.33
GRM2 Q14416 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
XIAP P98170 1/20 0.32
PTGER1 P34995 1/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
ITGB7 P26010 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
BACE1 P56817 1/20 0.32
KCNA5 P22460 1/20 0.31
KCNH2 Q12809 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
SCHEMBL8990886 0.92 GHSR (0.50) GHSRAGTR1LIPGTHRBGRM2
SCHEMBL8990951 0.92 GHSR (0.61) GHSRAGTR1LIPGTHRBGRM2
SCHEMBL8990983 0.91 GHSR (0.62) GHSRAGTR1LIPGTHRBGRM2
SCHEMBL8990887 0.91 GHSR (0.46) GHSRLIPGGRM2MEN1KMT2A
SCHEMBL8990776 0.91 GHSR (0.47) GHSRAGTR1GRM2HDAC1HDAC7
SCHEMBL8990941 0.91 GHSR (0.62) GHSRAGTR1LIPGTHRBGRM2
SCHEMBL8990924 0.89 GHSR (0.45) GHSRMEN1KMT2AKCNA5KCNH2
SCHEMBL8990840 0.85 GHSR (0.41) GHSRAGTR1XIAPBACE1
SCHEMBL8991054 0.85 GHSR (0.56) GHSRAGTR1
SCHEMBL8990997 0.85 GHSR (0.40) 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