SCHEMBL8990849

SCHEMBL8990849

CNC(=O)Nc1ccccc1-c1ccc(CN2Cc3ccccc3S[C@@H](NC(=O)CC(C)(C)N)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 4/20 0.42
AGTR1 P30556 1/20 0.42
HDAC1 Q13547 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTGER1 P34995 3/20 0.32
PTGER4 P35408 2/20 0.32
PTGER3 P43115 2/20 0.32
HDAC7 Q8WUI4 3/20 0.32
HDAC3 O15379 2/20 0.32
HDAC4 P56524 2/20 0.32
HDAC2 Q92769 2/20 0.32
ITGB1 P05556 1/20 0.32
ITGA4 P13612 1/20 0.32
FPR2 P25090 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
SCHEMBL8990880 0.92 GHSR (0.42) GHSRAGTR1HDAC1SMN1; SMN2MEN1
SCHEMBL8990990 0.91 GHSR (0.38) GHSRAGTR1HDAC1SMN1; SMN2MEN1
SCHEMBL8990793 0.90 GHSR (0.38) GHSRAGTR1HDAC1SMN1; SMN2KMT2A
SCHEMBL8990947 0.90 GHSR (0.38) GHSRAGTR1HDAC1SMN1; SMN2KMT2A
SCHEMBL8991018 0.88 GHSR (0.35) GHSRAGTR1HDAC1SMN1; SMN2MEN1
SCHEMBL8990833 0.88 GHSR (0.35) GHSRAGTR1HDAC1SMN1; SMN2MEN1
SCHEMBL8990991 0.88 GHSR (0.54) GHSRAGTR1HDAC1PTGER1PTGER3
SCHEMBL8990872 0.87 GHSR (0.40) GHSRAGTR1HDAC1SMN1; SMN2MEN1
SCHEMBL8990897 0.86 GHSR (0.47) GHSRAGTR1HDAC1
SCHEMBL8990909 0.83 GHSR (0.38) GHSRAGTR1HDAC1SMN1; SMN2MEN1

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